Cas no 893424-27-6 (Benzyl 4-(2H-1,2,4-triazol-3-yl)piperidine-1-carboxylate)

Benzyl 4-(2H-1,2,4-triazol-3-yl)piperidine-1-carboxylate structure
893424-27-6 structure
Product Name:Benzyl 4-(2H-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CAS No:893424-27-6
MF:C15H18N4O2
MW:286.329022884369
CID:603702
Update Time:2023-08-03

Benzyl 4-(2H-1,2,4-triazol-3-yl)piperidine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 1-Piperidinecarboxylic acid, 4-(1H-1,2,4-triazol-3-yl)-, phenylmethylester
    • benzyl 4-(2H-1,2,4-triazol-3-yl)piperidine-1-carboxylate
    • benzyl 4-(1H-1,2,4-triazol-3-yl)piperidine-1-carboxylate
    • Benzyl 4-(2H-1,2,4-triazol-3-yl)piperidine-1-carboxylate
    • Inchi： 1S/C15H18N4O2/c20-15(21-10-12-4-2-1-3-5-12)19-8-6-13(7-9-19)14-16-11-17-18-14/h1-5,11,13H,6-10H2,(H,16,17,18)
    • InChI Key： ACNBOWAEOFAGKJ-UHFFFAOYSA-N
    • SMILES： O(CC1C=CC=CC=1)C(N1CCC(C2=NC=NN2)CC1)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 339
  • Topological Polar Surface Area: 71.1

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