3-(benzyloxy)-1-(1-cyclohexyl-1H-1,2,3-triazole-4-carbonyl)piperidine

• ChemBase ID: 733027
• Molecular Formular: C21H28N4O2
• Molecular Mass: 368.47262
• Monoisotopic Mass: 368.22122616
• SMILES: c1(nnn(c1)C1CCCCC1)C(=O)N1CC(OCc2ccccc2)CCC1
• Canonical SMILES: O=C(c1nnn(c1)C1CCCCC1)N1CCCC(C1)OCc1ccccc1
• InChI: InChI=1S/C21H28N4O2/c26-21(20-15-25(23-22-20)18-10-5-2-6-11-18)24-13-7-12-19(14-24)27-16-17-8-3-1-4-9-17/h1,3-4,8-9,15,18-19H,2,5-7,10-14,16H2
• InChIKey: UBZYJLADLSXEFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(benzyloxy)-1-(1-cyclohexyl-1H-1,2,3-triazole-4-carbonyl)piperidine
• IUPAC Traditional name: 3-(benzyloxy)-1-(1-cyclohexyl-1,2,3-triazole-4-carbonyl)piperidine
• Synonyms: 3-(benzyloxy)-1-[(1-cyclohexyl-1H-1,2,3-triazol-4-yl)carbonyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.6464055
• LogD (pH = 7.4): 3.6464055
• Log P: 3.6464055
• Molar Refractivity: 115.6997 cm^3
• Polarizability: 39.950275 Å^3
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.16
• LOG S: -5.25
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 5