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    CAS 3612-18-8

    PharmaCompass
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    2D Structure
    Also known as: 1-ethylpiperidin-4-one, 3612-18-8, 4-piperidinone, 1-ethyl-, N-ethyl-4-piperidone, Mfcd00013356, 1-ethyl-4-piperidinone
    Molecular Formula
    C7H13NO
    Molecular Weight
    127.18  g/mol
    InChI Key
    BDVKAMAALQXGLM-UHFFFAOYSA-N
    FDA UNII
    NDD4A44NG2
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-ethylpiperidin-4-one
    2.1.2 InChI
    InChI=1S/C7H13NO/c1-2-8-5-3-7(9)4-6-8/h2-6H2,1H3
    2.1.3 InChI Key
    BDVKAMAALQXGLM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCN1CCC(=O)CC1
    2.2 Other Identifiers
    2.2.1 UNII
    NDD4A44NG2
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1-ethylpiperidin-4-one

    2. 3612-18-8

    3. 4-piperidinone, 1-ethyl-

    4. N-ethyl-4-piperidone

    5. Mfcd00013356

    6. 1-ethyl-4-piperidinone

    7. 1-ethyl-4-oxopiperidine

    8. 1-ethyl-piperidin-4-one

    9. Ndd4a44ng2

    10. Einecs 222-781-9

    11. N-ethylpiperid-4-one

    12. Unii-ndd4a44ng2

    13. 1-(ethyl)piperidin-4-one

    14. 1-ethyl-4-piperidinone #

    15. Schembl124152

    16. 1-ethyl-4-piperidone, 98%

    17. Amy5271

    18. Dtxsid70189694

    19. Act04212

    20. Zinc2560372

    21. Bbl011452

    22. Stl146564

    23. Akos000119426

    24. Ps-4025

    25. Sb41093

    26. Sy001787

    27. Db-019171

    28. Cs-0046794

    29. E0498

    30. Ft-0634928

    31. Nn-diethyl-1h-indole-1-carboxamide97

    32. W-106642

    33. F0001-1037

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 127.18 g/mol
    Molecular Formula C7H13NO
    XLogP30.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass127.099714038 g/mol
    Monoisotopic Mass127.099714038 g/mol
    Topological Polar Surface Area20.3 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity102
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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