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    BUILDING BLOCK

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    Chemistry

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    Also known as: 5368-23-0, Nsc70394, Starbld0019152, Schembl6068444, Dtxsid80290684, Juwzykunwptanz-uhfffaoysa-n
    Molecular Formula
    C17H18N2O
    Molecular Weight
    266.34  g/mol
    InChI Key
    JUWZYKUNWPTANZ-UHFFFAOYSA-N
    CAS 5368-23-0
    1 2D Structure

    CAS 5368-23-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-benzyl-3-phenylpiperazin-2-one
    2.1.2 InChI
    InChI=1S/C17H18N2O/c20-17-16(15-9-5-2-6-10-15)19(12-11-18-17)13-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,18,20)
    2.1.3 InChI Key
    JUWZYKUNWPTANZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CN(C(C(=O)N1)C2=CC=CC=C2)CC3=CC=CC=C3
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 5368-23-0

    2. Nsc70394

    3. Starbld0019152

    4. Schembl6068444

    5. Dtxsid80290684

    6. Juwzykunwptanz-uhfffaoysa-n

    7. 4-benzyl-2-oxo-3-phenylpiperazine

    8. Nsc-70394

    9. 2-piperazinone, 3-phenyl-4-(phenylmethyl)-

    10. Cs-0162919

    11. D85588

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 266.34 g/mol
    Molecular Formula C17H18N2O
    XLogP32.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area32.3
    Heavy Atom Count20
    Formal Charge0
    Complexity319
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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