[4-(4-Methylpiperazin-1-yl)phenyl]methanol

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  • Identifiers

    CAS number
    342405-34-9

    Molecular formula
    C12H18N2O

    SMILES
    CN1CCN(CC1)C2=CC=C(C=C2)CO

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fishy 38.37%
    Nutty 37.22%
    Odorless 35.39%
    Animal 34.6%
    Sweet 30.52%
    Roasted 27.22%
    Cheesy 25.89%
    Popcorn 25.51%
    Almond 24.41%
    Burnt 23.97%

     

    Flavor
    Bitter 60.59%
    Sweet 47.46%
    Fruity 38.24%
    Floral 30.54%
    Animal 26.68%
    Alkaline 22.85%
    Naphthalic 21.81%
    Orange blossom 21.58%
    Mild 21.57%
    Orange flower 21.42%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    6.27 (neutral)

    Molecular weight
    206.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    380°C

    Flash point

    • 170.57 ˚C est.

  • Synonyms

    • 342405-34-9
    • [4-(4-methylpiperazin-1-yl)phenyl]methanol
    • [4-(4-Methylpiperazino)phenyl]methanol
    • 4-(4-Methylpiperazino)benzyl Alcohol
    • (4-(4-Methylpiperazin-1-yl)phenyl)methanol
    • MFCD02682064
    • DTXSID70380124
    • 4-(4-Methylpiperazin-1-yl)benzyl alcohol
    • Benzenemethanol, 4-(4-methyl-1-piperazinyl)-
    • 4-(4-N-Methylpiperazinyl)benzyl alcohol
    • Oprea1_408169
    • SCHEMBL347427
    • DTXCID10331150
    • ZCAGHLIBKHFJDU-UHFFFAOYSA-N
    • AKOS005071465
    • AC-2870
    • AD-0335
    • CS-W021095
    • BP-10790
    • SY003204
    • DB-001586
    • A6026
    • EN300-179662
    • [4-(4-methyl-piperazin-1-yl)-phenyl]-methanol
    • Z362021628
    • 4-(4-N-Methylpiperazinyl)benzyl alcohol;4-(4-Methylpiperazino)benzyl Alcohol
    • 809-122-6

  • Applications

    [4-(4-Methylpiperazin-1-yl)phenyl]methanol (CAS 342405-34-9) is primarily used as a versatile synthetic building block in pharmaceutical research, providing a para-substituted phenyl motif bearing a piperazine group for the development of small-molecule APIs and drug candidates. In medicinal chemistry, it is commonly evaluated for SAR studies and used as an intermediate to access related compounds. In chemical synthesis, the benzyl alcohol moiety enables conversions to benzyl halides, ethers, esters, or cross-coupling partners, supporting library construction and lead-optimization efforts. In materials science, it can serve as a functional linker or reactive intermediate for functionalized polymers or coatings. It may also be employed as a scaffold for conjugates or as a flexible starting point in library design and lead optimization.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 146.53
    methanol 261.43
    isopropanol 38.34
    water 49.81
    ethyl acetate 45.82
    n-propanol 102.11
    acetone 23.6
    n-butanol 75.92
    acetonitrile 34.58
    DMF 142.88
    toluene 11.19
    isobutanol 51.88
    1,4-dioxane 86.8
    methyl acetate 46.36
    THF 49.77
    2-butanone 30.33
    n-pentanol 36.87
    sec-butanol 34.31
    n-hexane 1.0
    ethylene glycol 158.4
    NMP 81.09
    cyclohexane 3.51
    DMSO 300.43
    n-butyl acetate 26.41
    n-octanol 6.38
    chloroform 166.73
    n-propyl acetate 23.37
    acetic acid 425.76
    dichloromethane 157.43
    cyclohexanone 62.44
    propylene glycol 99.97
    isopropyl acetate 17.44
    DMAc 146.55
    2-ethoxyethanol 164.76
    isopentanol 44.58
    n-heptane 1.35
    ethyl formate 78.96
    1,2-dichloroethane 91.18
    n-hexanol 30.77
    2-methoxyethanol 301.32
    isobutyl acetate 13.7
    tetrachloromethane 28.59
    n-pentyl acetate 9.49
    transcutol 305.59
    n-heptanol 12.14
    ethylbenzene 4.76
    MIBK 10.85
    2-propoxyethanol 109.16
    tert-butanol 41.01
    MTBE 13.16
    2-butoxyethanol 47.73
    propionic acid 150.11
    o-xylene 12.87
    formic acid 604.32
    diethyl ether 20.88
    m-xylene 11.4
    p-xylene 6.79
    chlorobenzene 27.5
    dimethyl carbonate 21.88
    n-octane 0.51
    formamide 609.47
    cyclopentanone 56.86
    2-pentanone 20.07
    anisole 15.91
    cyclopentyl methyl ether 26.81
    gamma-butyrolactone 112.28
    1-methoxy-2-propanol 109.43
    pyridine 76.03
    3-pentanone 23.55
    furfural 170.95
    n-dodecane 0.37
    diethylene glycol 168.94
    diisopropyl ether 4.1
    tert-amyl alcohol 33.14
    acetylacetone 30.38
    n-hexadecane 0.41
    acetophenone 25.05
    methyl propionate 45.14
    isopentyl acetate 21.97
    trichloroethylene 204.95
    n-nonanol 6.7
    cyclohexanol 44.73
    benzyl alcohol 37.48
    2-ethylhexanol 14.08
    isooctanol 9.97
    dipropyl ether 11.67
    1,2-dichlorobenzene 32.98
    ethyl lactate 33.38
    propylene carbonate 69.38
    n-methylformamide 201.58
    2-pentanol 22.59
    n-pentane 1.64
    1-propoxy-2-propanol 49.66
    1-methoxy-2-propyl acetate 42.92
    2-(2-methoxypropoxy) propanol 47.93
    mesitylene 7.44
    ε-caprolactone 69.05
    p-cymene 7.19
    epichlorohydrin 129.39
    1,1,1-trichloroethane 51.37
    2-aminoethanol 220.14
    morpholine-4-carbaldehyde 134.38
    sulfolane 145.32
    2,2,4-trimethylpentane 1.35
    2-methyltetrahydrofuran 37.41
    n-hexyl acetate 11.39
    isooctane 0.73
    2-(2-butoxyethoxy)ethanol 68.93
    sec-butyl acetate 12.33
    tert-butyl acetate 17.83
    decalin 1.38
    glycerin 217.88
    diglyme 132.01
    acrylic acid 182.14
    isopropyl myristate 4.73
    n-butyric acid 165.19
    acetyl acetate 38.04
    di(2-ethylhexyl) phthalate 12.89
    ethyl propionate 20.79
    nitromethane 320.7
    1,2-diethoxyethane 33.85
    benzonitrile 29.87
    trioctyl phosphate 7.43
    1-bromopropane 22.01
    gamma-valerolactone 135.87
    n-decanol 5.12
    triethyl phosphate 20.85
    4-methyl-2-pentanol 11.34
    propionitrile 34.63
    vinylene carbonate 87.16
    1,1,2-trichlorotrifluoroethane 268.64
    DMS 22.53
    cumene 5.01
    2-octanol 4.67
    2-hexanone 12.61
    octyl acetate 7.02
    limonene 9.33
    1,2-dimethoxyethane 91.18
    ethyl orthosilicate 19.7
    tributyl phosphate 10.98
    diacetone alcohol 37.05
    N,N-dimethylaniline 14.3
    acrylonitrile 58.3
    aniline 51.41
    1,3-propanediol 215.15
    bromobenzene 21.29
    dibromomethane 74.61
    1,1,2,2-tetrachloroethane 151.39
    2-methyl-cyclohexyl acetate 21.45
    tetrabutyl urea 12.9
    diisobutyl methanol 7.37
    2-phenylethanol 34.26
    styrene 6.05
    dioctyl adipate 12.92
    dimethyl sulfate 50.38
    ethyl butyrate 23.3
    methyl lactate 53.48
    butyl lactate 20.21
    diethyl carbonate 21.01
    propanediol butyl ether 37.54
    triethyl orthoformate 22.45
    p-tert-butyltoluene 6.84
    methyl 4-tert-butylbenzoate 27.13
    morpholine 126.01
    tert-butylamine 17.71
    n-dodecanol 3.9
    dimethoxymethane 52.4
    ethylene carbonate 66.64
    cyrene 53.73
    2-ethoxyethyl acetate 26.43
    2-ethylhexyl acetate 17.49
    1,2,4-trichlorobenzene 48.2
    4-methylpyridine 45.25
    dibutyl ether 5.86
    2,6-dimethyl-4-heptanol 7.37
    DEF 61.65
    dimethyl isosorbide 67.64
    tetrachloroethylene 137.09
    eugenol 33.61
    triacetin 28.16
    span 80 32.74
    1,4-butanediol 77.78
    1,1-dichloroethane 44.04
    2-methyl-1-pentanol 26.88
    methyl formate 108.1
    2-methyl-1-butanol 46.13
    n-decane 0.58
    butyronitrile 31.88
    3,7-dimethyl-1-octanol 8.2
    1-chlorooctane 2.55
    1-chlorotetradecane 1.2
    n-nonane 0.49
    undecane 0.45
    tert-butylcyclohexane 1.14
    cyclooctane 1.38
    cyclopentanol 40.67
    tetrahydropyran 42.54
    tert-amyl methyl ether 13.64
    2,5,8-trioxanonane 96.17
    1-hexene 3.55
    2-isopropoxyethanol 63.84
    2,2,2-trifluoroethanol 210.78
    methyl butyrate 29.58

    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