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    Chemistry

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    Also known as: 1375470-88-4, (3s,5s,6r)-3-amino-6-methyl-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-2-one;hydrochloride, Schembl3700365, Cs-0057922, A934965, (3s,5s,6r)-3-amino-6-methyl-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-2-one hcl salt
    Molecular Formula
    C14H18ClF3N2O
    Molecular Weight
    322.75  g/mol
    InChI Key
    IXWPEFGFFDTWQC-GWFKABJVSA-N
    CAS 1375470-88-4
    1 2D Structure

    CAS 1375470-88-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3S,5S,6R)-3-amino-6-methyl-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-2-one;hydrochloride
    2.1.2 InChI
    InChI=1S/C14H17F3N2O.ClH/c1-9-11(10-5-3-2-4-6-10)7-12(18)13(20)19(9)8-14(15,16)17;/h2-6,9,11-12H,7-8,18H2,1H3;1H/t9-,11-,12+;/m1./s1
    2.1.3 InChI Key
    IXWPEFGFFDTWQC-GWFKABJVSA-N
    2.1.4 Canonical SMILES
    CC1C(CC(C(=O)N1CC(F)(F)F)N)C2=CC=CC=C2.Cl
    2.1.5 Isomeric SMILES
    C[C@@H]1[C@@H](C[C@@H](C(=O)N1CC(F)(F)F)N)C2=CC=CC=C2.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1375470-88-4

    2. (3s,5s,6r)-3-amino-6-methyl-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-2-one;hydrochloride

    3. Schembl3700365

    4. Cs-0057922

    5. A934965

    6. (3s,5s,6r)-3-amino-6-methyl-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-2-one Hcl Salt

    2.3 Create Date
    2012-11-30
    3 Chemical and Physical Properties
    Molecular Weight 322.75 g/mol
    Molecular Formula C14H18ClF3N2O
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count2
    Exact Mass322.1059754 g/mol
    Monoisotopic Mass322.1059754 g/mol
    Topological Polar Surface Area46.3 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity353
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

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