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

• ChemBase ID: 671860
• Molecular Formular: C19H26N4
• Molecular Mass: 310.43654
• Monoisotopic Mass: 310.21574685
• SMILES: n1n(cc(n1)C1CC1)C1CCN(CC(c2ccccc2)C)CC1
• Canonical SMILES: CC(c1ccccc1)CN1CCC(CC1)n1nnc(c1)C1CC1
• InChI: InChI=1S/C19H26N4/c1-15(16-5-3-2-4-6-16)13-22-11-9-18(10-12-22)23-14-19(20-21-23)17-7-8-17/h2-6,14-15,17-18H,7-13H2,1H3
• InChIKey: PGMDQVZZUNFWOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.012126924
• LogD (pH = 7.4): 1.36881
• Log P: 3.3363097
• Molar Refractivity: 104.5994 cm^3
• Polarizability: 35.953674 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: 2.74
• LOG S: -2.79
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 5