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    BUILDING BLOCK

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    Chemistry

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    Also known as: 16771-85-0, 4-piperidinone, 1-(3-methoxypropyl)-, Schembl2968569, 1-(3-methoxypropyl)4piperidone, Dtxsid001298260, L-(3-methoxypropyl)-4-piperidone
    Molecular Formula
    C9H17NO2
    Molecular Weight
    171.24  g/mol
    InChI Key
    QFWBXLYVHOMANN-UHFFFAOYSA-N
    CAS 16771-85-0
    1 2D Structure

    CAS 16771-85-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(3-methoxypropyl)piperidin-4-one
    2.1.2 InChI
    InChI=1S/C9H17NO2/c1-12-8-2-5-10-6-3-9(11)4-7-10/h2-8H2,1H3
    2.1.3 InChI Key
    QFWBXLYVHOMANN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COCCCN1CCC(=O)CC1
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 16771-85-0

    2. 4-piperidinone, 1-(3-methoxypropyl)-

    3. Schembl2968569

    4. 1-(3-methoxypropyl)4piperidone

    5. Dtxsid001298260

    6. L-(3-methoxypropyl)-4-piperidone

    7. 1-(3-methoxypropyl)-4-piperidone

    8. 1-(3-methoxypropyl)-4-piperidinone

    9. Mfcd11104530

    10. Zinc34974468

    11. Akos009330712

    12. Am85325

    13. Sb41111

    14. As-62919

    2.3 Create Date
    2007-12-04
    3 Chemical and Physical Properties
    Molecular Weight 171.24 g/mol
    Molecular Formula C9H17NO2
    XLogP3-0.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count4
    Exact Mass171.125928785 g/mol
    Monoisotopic Mass171.125928785 g/mol
    Topological Polar Surface Area29.5 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity138
    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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