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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 878208-57-2, (6-fluoro-3,4-dihydro-2h-chromen-2-yl)-piperidin-1-ylmethanone, (6-fluorochroman-2-yl)(piperidin-1-yl)methanone, Starbld0001998, Schembl8269287, Dtxsid80730838
    Molecular Formula
    C15H18FNO2
    Molecular Weight
    263.31  g/mol
    InChI Key
    KCQCIGZMHMLFSE-UHFFFAOYSA-N
    CAS 878208-57-2
    1 2D Structure

    CAS 878208-57-2

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (6-fluoro-3,4-dihydro-2H-chromen-2-yl)-piperidin-1-ylmethanone
    2.1.2 InChI
    InChI=1S/C15H18FNO2/c16-12-5-7-13-11(10-12)4-6-14(19-13)15(18)17-8-2-1-3-9-17/h5,7,10,14H,1-4,6,8-9H2
    2.1.3 InChI Key
    KCQCIGZMHMLFSE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CCN(CC1)C(=O)C2CCC3=C(O2)C=CC(=C3)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 878208-57-2

    2. (6-fluoro-3,4-dihydro-2h-chromen-2-yl)-piperidin-1-ylmethanone

    3. (6-fluorochroman-2-yl)(piperidin-1-yl)methanone

    4. Starbld0001998

    5. Schembl8269287

    6. Dtxsid80730838

    7. Ft-0668636

    8. (6-fluoro-3,4-dihydro-2h-1-benzopyran-2-yl)(piperidin-1-yl)methanone

    2.3 Create Date
    2012-08-19
    3 Chemical and Physical Properties
    Molecular Weight 263.31 g/mol
    Molecular Formula C15H18FNO2
    XLogP32.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass263.13215698 g/mol
    Monoisotopic Mass263.13215698 g/mol
    Topological Polar Surface Area29.5 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity330
    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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