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

• ChemBase ID: 750752
• Molecular Formular: C15H26N4
• Molecular Mass: 262.39374
• Monoisotopic Mass: 262.21574685
• SMILES: n1n(cc(n1)C1CC1)C1CCN(CC1)CCCCC
• Canonical SMILES: CCCCCN1CCC(CC1)n1nnc(c1)C1CC1
• InChI: InChI=1S/C15H26N4/c1-2-3-4-9-18-10-7-14(8-11-18)19-12-15(16-17-19)13-5-6-13/h12-14H,2-11H2,1H3
• InChIKey: WUPLOTYDLMRAIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.66988
• LogD (pH = 7.4): 0.5783011
• Log P: 2.7266703
• Molar Refractivity: 89.2348 cm^3
• Polarizability: 30.109877 Å^3
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.36
• LOG S: -2.12
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 6