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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 855778-84-6, Schembl2209444, Bapaubkdzoewjl-uhfffaoysa-n, E72264, 3-(piperidin-4-yl)quinolin-2(1h)-one-hydrochloride, 3-(4-piperidinyl)-2(1h)-quinolinone hydrochloride
    Molecular Formula
    C14H17ClN2O
    Molecular Weight
    264.75  g/mol
    InChI Key
    BAPAUBKDZOEWJL-UHFFFAOYSA-N
    CAS 855778-84-6
    1 2D Structure

    CAS 855778-84-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-piperidin-4-yl-1H-quinolin-2-one;hydrochloride
    2.1.2 InChI
    InChI=1S/C14H16N2O.ClH/c17-14-12(10-5-7-15-8-6-10)9-11-3-1-2-4-13(11)16-14;/h1-4,9-10,15H,5-8H2,(H,16,17);1H
    2.1.3 InChI Key
    BAPAUBKDZOEWJL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CNCCC1C2=CC3=CC=CC=C3NC2=O.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 855778-84-6

    2. Schembl2209444

    3. Bapaubkdzoewjl-uhfffaoysa-n

    4. E72264

    5. 3-(piperidin-4-yl)quinolin-2(1h)-one-hydrochloride

    6. 3-(4-piperidinyl)-2(1h)-quinolinone Hydrochloride

    2.3 Create Date
    2012-11-30
    3 Chemical and Physical Properties
    Molecular Weight 264.75 g/mol
    Molecular Formula C14H17ClN2O
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area41.1
    Heavy Atom Count18
    Formal Charge0
    Complexity331
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

    BUILDING BLOCK

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