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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: Zinc39376005, 767582-67-2, A1-01435, Methanone, (4-fluoro-2-hydroxyphenyl)-4-piperidinyl,
    Molecular Formula
    C12H14FNO2
    Molecular Weight
    223.24  g/mol
    InChI Key
    DOTNAUSRXQAKRZ-UHFFFAOYSA-N
    CAS 767582-67-2
    1 2D Structure

    CAS 767582-67-2

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4-fluoro-2-hydroxyphenyl)-piperidin-4-ylmethanone
    2.1.2 InChI
    InChI=1S/C12H14FNO2/c13-9-1-2-10(11(15)7-9)12(16)8-3-5-14-6-4-8/h1-2,7-8,14-15H,3-6H2
    2.1.3 InChI Key
    DOTNAUSRXQAKRZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CNCCC1C(=O)C2=C(C=C(C=C2)F)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Zinc39376005

    2. 767582-67-2

    3. A1-01435

    4. Methanone, (4-fluoro-2-hydroxyphenyl)-4-piperidinyl,

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 223.24 g/mol
    Molecular Formula C12H14FNO2
    XLogP31.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass223.10085685 g/mol
    Monoisotopic Mass223.10085685 g/mol
    Topological Polar Surface Area49.3 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity253
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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