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    1799799-87-3 manufacturers and suppliers on PharmaCompass

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    1799799-87-3

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    1799799-87-3
    Also known as: 960201-86-9, Tert-butyl 4-[(2e)-3-(dimethylamino)prop-2-enoyl]-piperidine-1-carboxylate, Tert-butyl 4-(3-(dimethylamino)acryloyl)piperidine-1-carboxylate, Tert-butyl 4-[(e)-3-(dimethylamino)prop-2-enoyl]piperidine-1-carboxylate, 1799799-87-3, Mfcd08898850
    Molecular Formula
    C15H26N2O3
    Molecular Weight
    282.38  g/mol
    InChI Key
    NWAKHTZENIYBGL-CMDGGOBGSA-N
    1 2D Structure

    1799799-87-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl 4-[(E)-3-(dimethylamino)prop-2-enoyl]piperidine-1-carboxylate
    2.1.2 InChI
    InChI=1S/C15H26N2O3/c1-15(2,3)20-14(19)17-10-6-12(7-11-17)13(18)8-9-16(4)5/h8-9,12H,6-7,10-11H2,1-5H3/b9-8+
    2.1.3 InChI Key
    NWAKHTZENIYBGL-CMDGGOBGSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)OC(=O)N1CCC(CC1)C(=O)C=CN(C)C
    2.1.5 Isomeric SMILES
    CC(C)(C)OC(=O)N1CCC(CC1)C(=O)/C=C/N(C)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 960201-86-9

    2. Tert-butyl 4-[(2e)-3-(dimethylamino)prop-2-enoyl]-piperidine-1-carboxylate

    3. Tert-butyl 4-(3-(dimethylamino)acryloyl)piperidine-1-carboxylate

    4. Tert-butyl 4-[(e)-3-(dimethylamino)prop-2-enoyl]piperidine-1-carboxylate

    5. 1799799-87-3

    6. Mfcd08898850

    7. 1-piperidinecarboxylic Acid, 4-[(2e)-3-(dimethylamino)-1-oxo-2-propenyl]-, 1,1-dimethylethyl Ester

    8. Schembl16827768

    9. Schembl16827771

    10. Albb-009358

    11. Ac7461

    12. Stk505863

    13. Akos005172311

    14. Bs-18058

    15. Bb 0263062

    16. Cs-0098341

    17. Tert-butyl4-(3-(dimethylamino)acryloyl)piperidine-1-carboxylate

    18. Tert-butyl (e)-4-(3-(dimethylamino)acryloyl)piperidine-1-carboxylate

    19. 1-piperidinecarboxylic Acid, 4-[3-(dimethylamino)-1-oxo-2-propen-1-yl]-, 1,1-dimethylethyl Ester

    2.3 Create Date
    2009-04-14
    3 Chemical and Physical Properties
    Molecular Weight 282.38 g/mol
    Molecular Formula C15H26N2O3
    XLogP31.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count5
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area49.8
    Heavy Atom Count20
    Formal Charge0
    Complexity375
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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