4-[4-(1-cyclobutyl-1H-imidazol-2-yl)-1H-1,2,3-triazol-1-yl]piperidine

• ChemBase ID: 580425
• Molecular Formular: C14H20N6
• Molecular Mass: 272.3488
• Monoisotopic Mass: 272.17494467
• SMILES: c1(c2n(ccn2)C2CCC2)nnn(c1)C1CCNCC1
• Canonical SMILES: N1CCC(CC1)n1nnc(c1)c1nccn1C1CCC1
• InChI: InChI=1S/C14H20N6/c1-2-11(3-1)19-9-8-16-14(19)13-10-20(18-17-13)12-4-6-15-7-5-12/h8-12,15H,1-7H2
• InChIKey: JOTHSYZRCWGBHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(1-cyclobutyl-1H-imidazol-2-yl)-1H-1,2,3-triazol-1-yl]piperidine
• IUPAC Traditional name: 4-[4-(1-cyclobutylimidazol-2-yl)-1,2,3-triazol-1-yl]piperidine
• Synonyms: 4-[4-(1-cyclobutyl-1H-imidazol-2-yl)-1H-1,2,3-triazol-1-yl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.1959906
• LogD (pH = 7.4): -1.5193038
• Log P: 1.089948
• Molar Refractivity: 97.8681 cm^3
• Polarizability: 29.838339 Å^3
• Polar Surface Area: 60.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.03
• LOG S: -1.51
• Polar Surface Area: 60.56 Å^2
• Rotatable Bonds: 3