1-[1-(cyclohexylmethyl)-1H-1,2,3-triazole-4-carbonyl]-4-(2-phenylethyl)piperidine

• ChemBase ID: 693610
• Molecular Formular: C23H32N4O
• Molecular Mass: 380.52638
• Monoisotopic Mass: 380.25761166
• SMILES: c1(nnn(c1)CC1CCCCC1)C(=O)N1CCC(CC1)CCc1ccccc1
• Canonical SMILES: O=C(c1nnn(c1)CC1CCCCC1)N1CCC(CC1)CCc1ccccc1
• InChI: InChI=1S/C23H32N4O/c28-23(22-18-27(25-24-22)17-21-9-5-2-6-10-21)26-15-13-20(14-16-26)12-11-19-7-3-1-4-8-19/h1,3-4,7-8,18,20-21H,2,5-6,9-17H2
• InChIKey: KNMDZJJSLMYQBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(cyclohexylmethyl)-1H-1,2,3-triazole-4-carbonyl]-4-(2-phenylethyl)piperidine
• IUPAC Traditional name: 1-[1-(cyclohexylmethyl)-1,2,3-triazole-4-carbonyl]-4-(2-phenylethyl)piperidine
• Synonyms: 1-{[1-(cyclohexylmethyl)-1H-1,2,3-triazol-4-yl]carbonyl}-4-(2-phenylethyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.9786825
• LogD (pH = 7.4): 4.9786825
• Log P: 4.9786825
• Molar Refractivity: 123.5508 cm^3
• Polarizability: 42.86426 Å^3
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.7
• LOG S: -6.06
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 6