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    BUILDING BLOCK

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    Chemistry

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    Also known as: 1421762-88-0, Y11420, Tert-butyl4-methyl-3-oxo-2-phenylpiperazine-1-carboxylate
    Molecular Formula
    C16H22N2O3
    Molecular Weight
    290.36  g/mol
    InChI Key
    NTUSZVSOBTVCFB-UHFFFAOYSA-N
    CAS 1421762-88-0
    1 2D Structure

    CAS 1421762-88-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl 4-methyl-3-oxo-2-phenylpiperazine-1-carboxylate
    2.1.2 InChI
    InChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)18-11-10-17(4)14(19)13(18)12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3
    2.1.3 InChI Key
    NTUSZVSOBTVCFB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)OC(=O)N1CCN(C(=O)C1C2=CC=CC=C2)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1421762-88-0

    2. Y11420

    3. Tert-butyl4-methyl-3-oxo-2-phenylpiperazine-1-carboxylate

    2.3 Create Date
    2016-03-04
    3 Chemical and Physical Properties
    Molecular Weight 290.36 g/mol
    Molecular Formula C16H22N2O3
    XLogP32.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area49.8
    Heavy Atom Count21
    Formal Charge0
    Complexity397
    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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