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

• ChemBase ID: 861416
• Molecular Formular: C15H26N4
• Molecular Mass: 262.39374
• Monoisotopic Mass: 262.21574685
• SMILES: n1n(cc(n1)C1CC1)C1CCN(CC1)CC(CC)C
• Canonical SMILES: CCC(CN1CCC(CC1)n1nnc(c1)C1CC1)C
• InChI: InChI=1S/C15H26N4/c1-3-12(2)10-18-8-6-14(7-9-18)19-11-15(16-17-19)13-4-5-13/h11-14H,3-10H2,1-2H3
• InChIKey: AAAYBSZSZUBXCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.7978229
• LogD (pH = 7.4): 0.2247928
• Log P: 2.6470745
• Molar Refractivity: 89.1054 cm^3
• Polarizability: 30.109877 Å^3
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.23
• LOG S: -2.01
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 5