Cas no 104777-74-4 (3-Ethylpiperidin-4-one)

3-Ethylpiperidin-4-one structure
3-Ethylpiperidin-4-one structure
Product Name:3-Ethylpiperidin-4-one
CAS No:104777-74-4
MF:C7H13NO
MW:127.184221982956
CID:1035291
PubChem ID:11105379
Update Time:2025-04-20

3-Ethylpiperidin-4-one Chemical and Physical Properties

Names and Identifiers

    • 3-Ethylpiperidin-4-one
    • 3-ethyl-4-oxopiperidine
    • AK129518
    • KB-31684
    • RL00224
    • SureCN5988216
    • SB42712
    • DTXSID30455281
    • SCHEMBL5988216
    • 104777-74-4
    • EN300-155149
    • J-512437
    • A850565
    • AKOS006354198
    • CS-0296857
    • MDL: MFCD13191638
    • Inchi: 1S/C7H13NO/c1-2-6-5-8-4-3-7(6)9/h6,8H,2-5H2,1H3
    • InChI Key: OIKJFJVXBZTLGL-UHFFFAOYSA-N
    • SMILES: O=C1CCNCC1CC

Computed Properties

  • Exact Mass: 127.09979
  • Monoisotopic Mass: 127.099714038g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 112
  • 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: 0.2
  • Topological Polar Surface Area: 29.1?2

Experimental Properties

  • PSA: 29.1

3-Ethylpiperidin-4-one Pricemore >>

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