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    CAS 206989-61-9

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 206989-61-9, N-boc-4-acetylpiperidine, 1-boc-4-acetylpiperidine, 4-acetyl-piperidine-1-carboxylic acid tert-butyl ester, N-boc-4-acetypiperidine, 1-piperidinecarboxylic acid, 4-acetyl-, 1,1-dimethylethyl ester
    Molecular Formula
    C12H21NO3
    Molecular Weight
    227.30  g/mol
    InChI Key
    HNVBBNZWMSTMAZ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl 4-acetylpiperidine-1-carboxylate
    2.1.2 InChI
    InChI=1S/C12H21NO3/c1-9(14)10-5-7-13(8-6-10)11(15)16-12(2,3)4/h10H,5-8H2,1-4H3
    2.1.3 InChI Key
    HNVBBNZWMSTMAZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)C1CCN(CC1)C(=O)OC(C)(C)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 206989-61-9

    2. N-boc-4-acetylpiperidine

    3. 1-boc-4-acetylpiperidine

    4. 4-acetyl-piperidine-1-carboxylic Acid Tert-butyl Ester

    5. N-boc-4-acetypiperidine

    6. 1-piperidinecarboxylic Acid, 4-acetyl-, 1,1-dimethylethyl Ester

    7. Tert-butyl4-acetylpiperidine-1-carboxylate

    8. Mfcd08437655

    9. 4-acetylpiperidine-1-carboxylic Acid Tert-butyl Ester

    10. 4-acetyl-1-piperidinecarboxylic Acid Tert-butyl Ester

    11. N-boc-4-acetyl-piperidine

    12. Schembl2015039

    13. Dtxsid30450938

    14. 1-boc-4-acetyl-piperidine

    15. 4-acetyl-piperidine-1-carboxylic Acid Mono T-butyl Ester

    16. Act08877

    17. Albb-028030

    18. Bcp04212

    19. Cs-b0845

    20. Zinc31776840

    21. Akos004910644

    22. Pb12523

    23. 1-t-butyloxycarbonyl-4-acetyl-piperidine

    24. 4-acetyl-1-(t-butoxycarbonyl)piperidine

    25. 1-tert-butoxycarbonyl-4-acetyl-piperidine

    26. 4-acetyl-1-(t-butoxycarbonyl)-piperidine

    27. Ac-25614

    28. Bs-11734

    29. Sy007085

    30. Ter-butyl 4-acetylpiperidine-1-carboxylate

    31. 4-acetyl-1-(tert-butoxycarbonyl)piperidine

    32. Db-009970

    33. Am20090165

    34. Bb 0220581

    35. C2190

    36. Ft-0648162

    37. Tert-butyl 4-ethanoylpiperidine-1-carboxylate

    38. 989a619

    39. A814823

    40. 1,1-dimethylethyl 4-acetyl-1-piperidinecarboxylate

    41. W-206064

    42. W-206546

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 227.30 g/mol
    Molecular Formula C12H21NO3
    XLogP31.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass227.15214353 g/mol
    Monoisotopic Mass227.15214353 g/mol
    Topological Polar Surface Area46.6 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity273
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1