Cas no 19519-53-0 (1,3-bis[(2s)-piperidin-2-yl]propan-2-one)

1,3-bis[(2s)-piperidin-2-yl]propan-2-one structure
19519-53-0 structure
Product Name:1,3-bis[(2s)-piperidin-2-yl]propan-2-one
CAS No:19519-53-0
MF:C13H24N2O
MW:224.342463493347
CID:1387612
PubChem ID:440934
Update Time:2025-04-20

1,3-bis[(2s)-piperidin-2-yl]propan-2-one Chemical and Physical Properties

Names and Identifiers

    • 1,3-bis[(2S)-piperidin-2-yl]propan-2-one
    • 1,3-Bis[(S)-2-piperidinyl]-2-propanone
    • Anapheline
    • (+)-L-Anaferine
    • (-)-anaferine
    • L-(+)-Anaferine
    • Anaferine; (RS,SR)-form
    • 1,3-bis[(2S)-2-piperidyl]propan-2-one
    • 1,3-Bis[(s)-piperidin-2-yl]propan-2-one
    • 19519-53-0
    • C06183
    • CHEBI:2702
    • Q27105773
    • DTXSID20331545
    • AC1L9A81
    • J-503878
    • 1,3-bis[(2s)-piperidin-2-yl]propan-2-one
    • Inchi: 1S/C13H24N2O/c16-13(9-11-5-1-3-7-14-11)10-12-6-2-4-8-15-12/h11-12,14-15H,1-10H2
    • InChI Key: JFMCQBGTUJUOAB-UHFFFAOYSA-N
    • SMILES: O=C(CC1NCCCC1)CC1NCCCC1

Computed Properties

  • Exact Mass: 224.18902
  • Monoisotopic Mass: 224.188863393g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 208
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 41.1?2
  • XLogP3: 1.733

Experimental Properties

  • PSA: 41.13
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