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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 1-(4-chlorophenyl)piperidin-4-ol, 119836-12-3, Schembl2158833, Zinc34415641, 4-hydroxy-(4-chlorophenyl)piperidine, Akos022304945
    Molecular Formula
    C11H14ClNO
    Molecular Weight
    211.69  g/mol
    InChI Key
    ZUBDFEMHDHJGCX-UHFFFAOYSA-N
    CAS 119836-12-3
    1 2D Structure

    CAS 119836-12-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(4-chlorophenyl)piperidin-4-ol
    2.1.2 InChI
    InChI=1S/C11H14ClNO/c12-9-1-3-10(4-2-9)13-7-5-11(14)6-8-13/h1-4,11,14H,5-8H2
    2.1.3 InChI Key
    ZUBDFEMHDHJGCX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CN(CCC1O)C2=CC=C(C=C2)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1-(4-chlorophenyl)piperidin-4-ol

    2. 119836-12-3

    3. Schembl2158833

    4. Zinc34415641

    5. 4-hydroxy-(4-chlorophenyl)piperidine

    6. Akos022304945

    7. Db-061660

    8. Ft-0710744

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 211.69 g/mol
    Molecular Formula C11H14ClNO
    XLogP32.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass211.0763918 g/mol
    Monoisotopic Mass211.0763918 g/mol
    Topological Polar Surface Area23.5 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity172
    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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