Cas no 545371-76-4 (Piperazine, 1-ethyl-4-(1-oxoheptyl)- (9CI))

Piperazine, 1-ethyl-4-(1-oxoheptyl)- (9CI) structure
545371-76-4 structure
Product Name:Piperazine, 1-ethyl-4-(1-oxoheptyl)- (9CI)
CAS No:545371-76-4
MF:C13H26N2O
MW:226.358343601227
CID:941814
PubChem ID:4113992
Update Time:2025-04-19

Piperazine, 1-ethyl-4-(1-oxoheptyl)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Piperazine, 1-ethyl-4-(1-oxoheptyl)- (9CI)
    • 1-(4-Ethyl-1-piperazinyl)-1-heptanone
    • SCHEMBL23471191
    • DB-327222
    • PIPERAZINE, 1-ETHYL-4-(1-OXOHEPTYL)-
    • AKOS003799167
    • Piperazine,1-ethyl-4-(1-oxoheptyl)-(9ci)
    • 545371-76-4
    • Inchi: 1S/C13H26N2O/c1-3-5-6-7-8-13(16)15-11-9-14(4-2)10-12-15/h3-12H2,1-2H3
    • InChI Key: NCPZWVRCVFSHIL-UHFFFAOYSA-N
    • SMILES: O=C(CCCCCC)N1CCN(CC)CC1

Computed Properties

  • Exact Mass: 226.20468
  • Monoisotopic Mass: 226.204513457g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 6
  • Complexity: 198
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 23.6?2

Experimental Properties

  • PSA: 23.55
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