Cas no 56246-53-8 (ethyl 2-(3R,4S)-3-ethylpiperidin-4-ylacetate)

ethyl 2-(3R,4S)-3-ethylpiperidin-4-ylacetate structure
56246-53-8 structure
Product Name:ethyl 2-(3R,4S)-3-ethylpiperidin-4-ylacetate
CAS No:56246-53-8
MF:C11H21NO2
MW:199.28994345665
CID:2037239
PubChem ID:54555607
Update Time:2025-04-21

ethyl 2-(3R,4S)-3-ethylpiperidin-4-ylacetate Chemical and Physical Properties

Names and Identifiers

    • ((4S)-cis-3-Aethyl-[4]piperidyl)-essigsaeure-aethylester
    • ((4S)-cis-3-ethyl-[4]piperidyl)-acetic acid ethyl ester
    • (+)-ethyl cincholoiponate
    • cincholoipon ethyl ester
    • Cincholoiponethylester
    • cis-3-Ethyl-4-piperidinessigsaeureethylester
    • ethyl cincholoiponate
    • ethyl 2-(3R,4S)-3-ethylpiperidin-4-ylacetate
    • SCHEMBL11051158
    • 56246-53-8
    • ethyl 2-[(3R,4S)-3-ethylpiperidin-4-yl]acetate
    • EN300-19699924
    • Inchi: 1S/C11H21NO2/c1-3-9-8-12-6-5-10(9)7-11(13)14-4-2/h9-10,12H,3-8H2,1-2H3/t9-,10-/m0/s1
    • InChI Key: ZMYQHFQMRLPPRB-UWVGGRQHSA-N
    • SMILES: O(CC)C(C[C@@H]1CCNC[C@@H]1CC)=O

Computed Properties

  • Exact Mass: 199.157228913Da
  • Monoisotopic Mass: 199.157228913Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 182
  • 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
  • XLogP3: 1.5
  • Topological Polar Surface Area: 38.3?2

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