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  • [Synonyms]
    NSC659156
    AIDS142159
    AIDS-142159
    LS-15270
    NCI60_020824
    1,4-Bis(1,4-dicyano-2-butyl)piperazine
    Adiponitrile, 2,2'-(1,4-piperazinylene)bis-
    1,4-Piperazinedibutanenitrile, .gamma.,.gamma.'-bis(cyanomethyl)-

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight298.38608 [g/mol]
    Molecular FormulaC16H22N6
    XLogP-0.9
    H-Bond Donor0
    H-Bond Acceptor6
    Rotatable Bond Count8
    Exact Mass298.190595
    MonoIsotopic Mass298.190595
    Topological Polar Surface Area102
    Heavy Atom Count22
    Formal Charge0
    Complexity474
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count2
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 3-[4-(1,4-dicyanobutan-2-yl)piperazin-1-yl]hexanedinitrile
    Canonical SMILES: C1CN(CCN1C(CCC#N)CC#N)C(CCC#N)CC#N
    InChI: InChI=1/C16H22N6/c17-7-1-3-15(5-9-19)21-11-13-22(14-12-21)16(6-10-20)4-
    2-8-18/h15-16H,1-6,11-14H2



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