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  • [Synonyms]
    NSC35449
    5623-30-3

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight309.40212 [g/mol]
    Molecular FormulaC20H23NO2
    XLogP3.2
    H-Bond Donor1
    H-Bond Acceptor3
    Rotatable Bond Count5
    Exact Mass309.172879
    MonoIsotopic Mass309.172879
    Topological Polar Surface Area40.5
    Heavy Atom Count23
    Formal Charge0
    Complexity379
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count1
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 2-hydroxy-1,2-di(phenyl)-3-piperidin-1-ylpropan-1-one
    Canonical SMILES: C1CCN(CC1)CC(C2=CC=CC=C2)(C(=O)C3=CC=CC=C3)O
    InChI: InChI=1/C20H23NO2/c22-19(17-10-4-1-5-11-17)20(23,
    18-12-6-2-7-13-18)16-21-14-8-3-9-15-21/h1-2,4-7,10-13,23H,3,8-9,14-16H2



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