1-Piperidinepropanenitrile

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  • Identifiers

    CAS number
    3088-41-3

    Molecular formula
    C8H14N2

    SMILES
    C1CCN(CC1)CCC#N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fishy 60.74%
    Animal 38.94%
    Cheesy 33.05%
    Floral 27.77%
    Popcorn 26.59%
    Sweet 23.47%
    Nutty 23.17%
    Roasted 22.61%
    Ripe 22.24%
    Odorless 21.53%

     

    Flavor
    Bitter 54.38%
    Odorless 22.95%
    Alkaline 22.0%
    Nitrile 20.54%
    Shrimp 20.06%
    Cedarleaf 19.79%
    Roasted 19.66%
    Cereal 19.54%
    Very strong 19.13%
    Bouillon 19.01%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    7.2 (neutral)

    Molecular weight
    138.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    247°C

    Flash point

    • 102.27 ˚C est.

  • Synonyms

    • 3088-41-3
    • 1-Piperidinepropanenitrile
    • 1-PIPERIDINEPROPIONITRILE
    • 3-Piperidinopropionitrile
    • beta-Piperidinopropionitrile
    • 3-(1-Piperidine)propionitrile
    • BRN 0107858
    • EINECS 221-417-6
    • AI3-33248
    • DTXSID5062843
    • 5-20-03-00047 (Beilstein Handbook Reference)
    • RefChem:435842
    • DTXCID8038277
    • 221-417-6
    • 3-(piperidin-1-yl)propanenitrile
    • 3-piperidin-1-ylpropanenitrile
    • 1-(2-Cyanoethyl)piperidine
    • MFCD00006511
    • 3-(1-piperidino)propionitrile
    • 3-(piperidin-1-yl)propionitrile
    • 3-piperidylpropanenitrile
    • 3-(N-Piperidino)propionitrile
    • 1-Piperidine propionitrile
    • 6B5B8RPT7L
    • SCHEMBL64284
    • .beta.-Piperidinopropionitrile
    • 3-(1-piperidyl)propanenitrile
    • SCHEMBL1996957
    • SCHEMBL9059148
    • 3-(1-Piperidinyl)propionitrile
    • CHEMBL1193996
    • SCHEMBL17420964
    • 3-(1-Piperidinyl)propanenitrile #
    • ALBB-004597
    • BB_SC-08090
    • SBB030489
    • STK397830
    • AKOS000178246
    • AS-5631
    • DB-047928
    • CS-0216224
    • NS00028987
    • ST50658280
    • EN300-36713
    • Z53115952
    • InChI=1/C8H14N2/c9-5-4-8-10-6-2-1-3-7-10/h1-4,6-8H
    • 3088-41-3

  • Applications

    1-Piperidinepropanenitrile, CAS 3088-41-3, is a versatile building block for chemical synthesis involving the piperidine ring. In the pharmaceutical industry, it is used as an intermediate to prepare piperidine-containing derivatives and related heterocyclic scaffolds for potential drug candidates. In the agrochemical sector, it serves as a precursor for active ingredients with a piperidine moiety to support the development of crop protection products. In fine chemicals and contract synthesis, the nitrile provides a flexible starting point for complex, multi-functional molecules in R&D programs. The nitrile group allows subsequent transformations to amines, amides, or other heterocycles, enabling its use across various synthetic workflows in industry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 331.09
    methanol 662.35
    isopropanol 128.68
    water 23.87
    ethyl acetate 474.05
    n-propanol 241.31
    acetone 1023.63
    n-butanol 147.84
    acetonitrile 565.49
    DMF 1205.82
    toluene 167.8
    isobutanol 132.7
    1,4-dioxane 642.99
    methyl acetate 546.04
    THF 952.47
    2-butanone 600.51
    n-pentanol 88.08
    sec-butanol 118.71
    n-hexane 16.78
    ethylene glycol 304.52
    NMP 2179.26
    cyclohexane 61.36
    DMSO 3359.54
    n-butyl acetate 382.78
    n-octanol 58.73
    chloroform 1701.3
    n-propyl acetate 261.67
    acetic acid 1470.67
    dichloromethane 1933.87
    cyclohexanone 1048.99
    propylene glycol 221.44
    isopropyl acetate 197.71
    DMAc 884.78
    2-ethoxyethanol 263.89
    isopentanol 105.63
    n-heptane 20.26
    ethyl formate 542.14
    1,2-dichloroethane 1120.53
    n-hexanol 119.47
    2-methoxyethanol 550.22
    isobutyl acetate 124.01
    tetrachloromethane 371.44
    n-pentyl acetate 173.51
    transcutol 1293.85
    n-heptanol 54.34
    ethylbenzene 64.15
    MIBK 140.13
    2-propoxyethanol 298.44
    tert-butanol 130.88
    MTBE 115.62
    2-butoxyethanol 172.87
    propionic acid 775.56
    o-xylene 119.59
    formic acid 1197.69
    diethyl ether 158.58
    m-xylene 99.93
    p-xylene 95.07
    chlorobenzene 530.52
    dimethyl carbonate 273.1
    n-octane 5.52
    formamide 1495.51
    cyclopentanone 1620.22
    2-pentanone 326.33
    anisole 192.39
    cyclopentyl methyl ether 348.93
    gamma-butyrolactone 2348.67
    1-methoxy-2-propanol 268.11
    pyridine 950.47
    3-pentanone 360.51
    furfural 2348.55
    n-dodecane 4.37
    diethylene glycol 334.62
    diisopropyl ether 40.63
    tert-amyl alcohol 121.91
    acetylacetone 623.88
    n-hexadecane 5.19
    acetophenone 275.13
    methyl propionate 441.0
    isopentyl acetate 249.85
    trichloroethylene 2643.65
    n-nonanol 48.52
    cyclohexanol 223.11
    benzyl alcohol 180.46
    2-ethylhexanol 85.18
    isooctanol 44.82
    dipropyl ether 114.85
    1,2-dichlorobenzene 537.36
    ethyl lactate 160.31
    propylene carbonate 1014.99
    n-methylformamide 1200.7
    2-pentanol 70.92
    n-pentane 16.54
    1-propoxy-2-propanol 223.49
    1-methoxy-2-propyl acetate 354.67
    2-(2-methoxypropoxy) propanol 202.94
    mesitylene 62.31
    ε-caprolactone 807.81
    p-cymene 68.88
    epichlorohydrin 1543.32
    1,1,1-trichloroethane 879.5
    2-aminoethanol 326.25
    morpholine-4-carbaldehyde 1210.43
    sulfolane 3043.43
    2,2,4-trimethylpentane 11.43
    2-methyltetrahydrofuran 633.19
    n-hexyl acetate 215.1
    isooctane 6.36
    2-(2-butoxyethoxy)ethanol 275.48
    sec-butyl acetate 123.5
    tert-butyl acetate 186.73
    decalin 20.78
    glycerin 417.01
    diglyme 624.49
    acrylic acid 1047.37
    isopropyl myristate 60.91
    n-butyric acid 585.27
    acetyl acetate 491.09
    di(2-ethylhexyl) phthalate 104.17
    ethyl propionate 210.88
    nitromethane 2596.34
    1,2-diethoxyethane 275.39
    benzonitrile 396.71
    trioctyl phosphate 61.67
    1-bromopropane 286.47
    gamma-valerolactone 1662.34
    n-decanol 34.49
    triethyl phosphate 131.85
    4-methyl-2-pentanol 39.64
    propionitrile 320.36
    vinylene carbonate 1025.94
    1,1,2-trichlorotrifluoroethane 1648.5
    DMS 343.6
    cumene 44.99
    2-octanol 32.09
    2-hexanone 196.78
    octyl acetate 89.57
    limonene 105.9
    1,2-dimethoxyethane 378.11
    ethyl orthosilicate 113.36
    tributyl phosphate 101.99
    diacetone alcohol 229.35
    N,N-dimethylaniline 119.87
    acrylonitrile 617.25
    aniline 349.75
    1,3-propanediol 292.79
    bromobenzene 524.85
    dibromomethane 974.92
    1,1,2,2-tetrachloroethane 1713.31
    2-methyl-cyclohexyl acetate 173.92
    tetrabutyl urea 129.47
    diisobutyl methanol 46.34
    2-phenylethanol 176.6
    styrene 102.8
    dioctyl adipate 142.75
    dimethyl sulfate 700.52
    ethyl butyrate 241.11
    methyl lactate 305.98
    butyl lactate 187.31
    diethyl carbonate 193.86
    propanediol butyl ether 202.72
    triethyl orthoformate 167.88
    p-tert-butyltoluene 61.62
    methyl 4-tert-butylbenzoate 205.06
    morpholine 677.18
    tert-butylamine 75.37
    n-dodecanol 26.43
    dimethoxymethane 366.48
    ethylene carbonate 731.31
    cyrene 268.53
    2-ethoxyethyl acetate 359.0
    2-ethylhexyl acetate 218.37
    1,2,4-trichlorobenzene 722.63
    4-methylpyridine 602.34
    dibutyl ether 86.2
    2,6-dimethyl-4-heptanol 46.34
    DEF 448.49
    dimethyl isosorbide 428.85
    tetrachloroethylene 1346.66
    eugenol 200.94
    triacetin 348.39
    span 80 181.15
    1,4-butanediol 116.11
    1,1-dichloroethane 691.85
    2-methyl-1-pentanol 75.47
    methyl formate 945.8
    2-methyl-1-butanol 116.01
    n-decane 7.49
    butyronitrile 233.96
    3,7-dimethyl-1-octanol 65.44
    1-chlorooctane 46.71
    1-chlorotetradecane 16.33
    n-nonane 7.53
    undecane 5.47
    tert-butylcyclohexane 15.22
    cyclooctane 16.83
    cyclopentanol 334.46
    tetrahydropyran 474.6
    tert-amyl methyl ether 99.54
    2,5,8-trioxanonane 409.24
    1-hexene 48.62
    2-isopropoxyethanol 138.88
    2,2,2-trifluoroethanol 752.79
    methyl butyrate 311.01

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction