1-(2-methylbutyl)-4-(4-propyl-1H-1,2,3-triazol-1-yl)piperidine

• ChemBase ID: 832843
• Molecular Formular: C15H28N4
• Molecular Mass: 264.40962
• Monoisotopic Mass: 264.23139692
• SMILES: n1n(cc(n1)CCC)C1CCN(CC1)CC(CC)C
• Canonical SMILES: CCCc1nnn(c1)C1CCN(CC1)CC(CC)C
• InChI: InChI=1S/C15H28N4/c1-4-6-14-12-19(17-16-14)15-7-9-18(10-8-15)11-13(3)5-2/h12-13,15H,4-11H2,1-3H3
• InChIKey: BJVZLKSONDJUSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methylbutyl)-4-(4-propyl-1H-1,2,3-triazol-1-yl)piperidine
• IUPAC Traditional name: 1-(2-methylbutyl)-4-(4-propyl-1,2,3-triazol-1-yl)piperidine
• Synonyms: 1-(2-methylbutyl)-4-(4-propyl-1H-1,2,3-triazol-1-yl)piperidine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.67
• LOG S: -2.4
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 6

JChem

• H Donor: 0
• LogD (pH = 5.5): -0.4332547
• LogD (pH = 7.4): 0.58453083
• Log P: 3.0123827
• Molar Refractivity: 90.9341 cm^3
• Polarizability: 30.841791 Å^3
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 3