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  • [Synonyms]
    NSC33319
    6269-54-1

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight234.33728 [g/mol]
    Molecular FormulaC14H22N2O
    XLogP2
    H-Bond Donor1
    H-Bond Acceptor3
    Rotatable Bond Count4
    Exact Mass234.173213
    MonoIsotopic Mass234.173213
    Topological Polar Surface Area26.7
    Heavy Atom Count17
    Formal Charge0
    Complexity206
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 3-[4-(4-methylphenyl)piperazin-1-yl]propan-1-ol
    Canonical SMILES: CC1=CC=C(C=C1)N2CCN(CC2)CCCO
    InChI: InChI=1/C14H22N2O/c1-13-3-5-14(6-4-13)16-10-8-15(9-11-16)7-2-12-17/h3-6,
    17H,2,7-12H2,1H3



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