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    Technical details about CAS 32018-96-5, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 32018-96-5

    BUILDING BLOCK

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    2D Structure
    Also known as: 32018-96-5, 1-benzyl-4-methyl-piperidin-3-one, 4-methyl-1-(phenylmethyl)-3-piperidinone, 3-piperidinone, 4-methyl-1-(phenylmethyl)-, Mfcd16619159, Schembl1105751
    Molecular Formula
    C13H17NO
    Molecular Weight
    203.28  g/mol
    InChI Key
    BSBVJNUGGBQEPO-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-benzyl-4-methylpiperidin-3-one
    2.1.2 InChI
    InChI=1S/C13H17NO/c1-11-7-8-14(10-13(11)15)9-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
    2.1.3 InChI Key
    BSBVJNUGGBQEPO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1CCN(CC1=O)CC2=CC=CC=C2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 32018-96-5

    2. 1-benzyl-4-methyl-piperidin-3-one

    3. 4-methyl-1-(phenylmethyl)-3-piperidinone

    4. 3-piperidinone, 4-methyl-1-(phenylmethyl)-

    5. Mfcd16619159

    6. Schembl1105751

    7. Amy4191

    8. Dtxsid00477278

    9. 1-benzyl-4-methyl-3-piperidinone

    10. 1-benzyl 4-methyl-piperidin-3-one

    11. Akos007930647

    12. Sb36567

    13. Ac-27439

    14. As-61188

    15. Db-068566

    16. A5763

    17. Cs-0006817

    18. Ft-0720137

    19. En300-78889

    20. 018m965

    21. 1-benzyl-4-methylpiperidin-3-one 32018-96-5

    22. 2-([(4-chlorophenyl)sulfonyl]amino)aceticacid

    23. 1-benzyl-4-methyl-piperidin-3-one;1-benzyl-4-methylpiperidin-3-one

    2.3 Create Date
    2007-02-07
    3 Chemical and Physical Properties
    Molecular Weight 203.28 g/mol
    Molecular Formula C13H17NO
    XLogP32.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass203.131014166 g/mol
    Monoisotopic Mass203.131014166 g/mol
    Topological Polar Surface Area20.3 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity221
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1