ChemSpider 2D Image | 1-(2-Methylbenzyl)-N-{[1-(2-phenylethyl)-4-piperidinyl]methyl}-1H-1,2,3-triazole-4-carboxamide | C25H31N5O

1-(2-Methylbenzyl)-N-{[1-(2-phenylethyl)-4-piperidinyl]methyl}-1H-1,2,3-triazole-4-carboxamide

  • Molecular FormulaC25H31N5O
  • Average mass417.547 Da
  • Monoisotopic mass417.252869 Da
  • ChemSpider ID22159490

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(2-Methylbenzyl)-N-{[1-(2-phenylethyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-carboxamid [German] [ACD/IUPAC Name]
1-(2-Methylbenzyl)-N-{[1-(2-phenylethyl)-4-piperidinyl]methyl}-1H-1,2,3-triazole-4-carboxamide [ACD/IUPAC Name]
1-(2-Méthylbenzyl)-N-{[1-(2-phényléthyl)-4-pipéridinyl]méthyl}-1H-1,2,3-triazole-4-carboxamide [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxamide, 1-[(2-methylphenyl)methyl]-N-[[1-(2-phenylethyl)-4-piperidinyl]methyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.629
Molar Refractivity: 125.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.16
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 7.66
ACD/KOC (pH 7.4): 55.05
Polar Surface Area: 63 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 47.5±7.0 dyne/cm
Molar Volume: 352.8±7.0 cm3

Click to predict properties on the Chemicalize site


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