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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 1335523-82-4, (3s)-3-(4-bromophenyl)piperidine, Schembl15777910, Amy25414, Mfcd20451701, As-60640
    Molecular Formula
    C11H14BrN
    Molecular Weight
    240.14  g/mol
    InChI Key
    SZTZMTODFHPUHI-SNVBAGLBSA-N
    CAS 1335523-82-4
    1 2D Structure

    CAS 1335523-82-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3S)-3-(4-bromophenyl)piperidine
    2.1.2 InChI
    InChI=1S/C11H14BrN/c12-11-5-3-9(4-6-11)10-2-1-7-13-8-10/h3-6,10,13H,1-2,7-8H2/t10-/m1/s1
    2.1.3 InChI Key
    SZTZMTODFHPUHI-SNVBAGLBSA-N
    2.1.4 Canonical SMILES
    C1CC(CNC1)C2=CC=C(C=C2)Br
    2.1.5 Isomeric SMILES
    C1C[C@H](CNC1)C2=CC=C(C=C2)Br
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1335523-82-4

    2. (3s)-3-(4-bromophenyl)piperidine

    3. Schembl15777910

    4. Amy25414

    5. Mfcd20451701

    6. As-60640

    7. Cs-0059682

    8. W17648

    9. A856277

    2.3 Create Date
    2015-01-05
    3 Chemical and Physical Properties
    Molecular Weight 240.14 g/mol
    Molecular Formula C11H14BrN
    XLogP32.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area12
    Heavy Atom Count13
    Formal Charge0
    Complexity152
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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