Cas no 89013-12-7 (2-Piperidinone, 1-hexyl-5-methyl-)

2-Piperidinone, 1-hexyl-5-methyl- structure
89013-12-7 structure
Product Name:2-Piperidinone, 1-hexyl-5-methyl-
CAS No:89013-12-7
MF:C12H23NO
MW:197.317123651505
CID:615907
PubChem ID:71321426
Update Time:2025-04-19

2-Piperidinone, 1-hexyl-5-methyl- Chemical and Physical Properties

Names and Identifiers

    • 2-Piperidinone, 1-hexyl-5-methyl-
    • 1-hexyl-5-methylpiperidin-2-one
    • 89013-12-7
    • DTXSID00751247
    • Inchi: 1S/C12H23NO/c1-3-4-5-6-9-13-10-11(2)7-8-12(13)14/h11H,3-10H2,1-2H3
    • InChI Key: RHPSXKWYROVZDI-UHFFFAOYSA-N
    • SMILES: O=C1CCC(C)CN1CCCCCC

Computed Properties

  • Exact Mass: 197.177964357g/mol
  • Monoisotopic Mass: 197.177964357g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 179
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.9
  • Topological Polar Surface Area: 20.3?2
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