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

• ChemBase ID: 787063
• Molecular Formular: C15H24N4O2
• Molecular Mass: 292.37666
• Monoisotopic Mass: 292.18992603
• SMILES: c1(nnn(c1)C1CCCCC1)C(=O)N1CCC(CC1)OC
• Canonical SMILES: COC1CCN(CC1)C(=O)c1nnn(c1)C1CCCCC1
• InChI: InChI=1S/C15H24N4O2/c1-21-13-7-9-18(10-8-13)15(20)14-11-19(17-16-14)12-5-3-2-4-6-12/h11-13H,2-10H2,1H3
• InChIKey: BYCIOZUJZZTKND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4645293
• LogD (pH = 7.4): 1.4645294
• Log P: 1.4645294
• Molar Refractivity: 91.3079 cm^3
• Polarizability: 30.394133 Å^3
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.1
• LOG S: -2.85
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 2