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    BUILDING BLOCK

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    Chemistry

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    Also known as: 2212021-56-0, Tert-butyl (2s)-3-cyano-2-methyl-4-oxo-piperidine-1-carboxylate, Schembl20015356, Mfcd32856687, Cs-0312265, F93941
    Molecular Formula
    C12H18N2O3
    Molecular Weight
    238.28  g/mol
    InChI Key
    HWSFSGRTZMJYGQ-IENPIDJESA-N
    CAS 2212021-56-0
    1 2D Structure

    CAS 2212021-56-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl (2S)-3-cyano-2-methyl-4-oxopiperidine-1-carboxylate
    2.1.2 InChI
    InChI=1S/C12H18N2O3/c1-8-9(7-13)10(15)5-6-14(8)11(16)17-12(2,3)4/h8-9H,5-6H2,1-4H3/t8-,9?/m0/s1
    2.1.3 InChI Key
    HWSFSGRTZMJYGQ-IENPIDJESA-N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 2212021-56-0

    2. Tert-butyl (2s)-3-cyano-2-methyl-4-oxo-piperidine-1-carboxylate

    3. Schembl20015356

    4. Mfcd32856687

    5. Cs-0312265

    6. F93941

    7. (2s)-1-boc-3-cyano-2-methyl-4-oxo-piperidine

    8. Tert-butyl (2s)-3-cyano-2-methyl-4-oxopiperidine-1-carboxylate

    2.3 Create Date
    2018-06-23
    3 Chemical and Physical Properties
    Molecular Weight 238.28 g/mol
    Molecular Formula C12H18N2O3
    XLogP31
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area70.4
    Heavy Atom Count17
    Formal Charge0
    Complexity375
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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