ChemSpider 2D Image | [1-(2-Cyclohexylethyl)-1H-1,2,3-triazol-4-yl][4-(4-fluorophenoxy)-1-piperidinyl]methanone | C22H29FN4O2

[1-(2-Cyclohexylethyl)-1H-1,2,3-triazol-4-yl][4-(4-fluorophenoxy)-1-piperidinyl]methanone

  • Molecular FormulaC22H29FN4O2
  • Average mass400.490 Da
  • Monoisotopic mass400.227448 Da
  • ChemSpider ID22162901

More details:






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

[1-(2-Cyclohexylethyl)-1H-1,2,3-triazol-4-yl][4-(4-fluorophenoxy)-1-piperidinyl]methanone [ACD/IUPAC Name]
[1-(2-Cyclohexyléthyl)-1H-1,2,3-triazol-4-yl][4-(4-fluorophénoxy)-1-pipéridinyl]méthanone [French] [ACD/IUPAC Name]
[1-(2-Cyclohexylethyl)-1H-1,2,3-triazol-4-yl][4-(4-fluorphenoxy)-1-piperidinyl]methanon [German] [ACD/IUPAC Name]
Methanone, [1-(2-cyclohexylethyl)-1H-1,2,3-triazol-4-yl][4-(4-fluorophenoxy)-1-piperidinyl]- [ACD/Index Name]
1-{[1-(2-cyclohexylethyl)-1H-1,2,3-triazol-4-yl]carbonyl}-4-(4-fluorophenoxy)piperidine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 580.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 304.6±32.9 °C
Index of Refraction: 1.627
Molar Refractivity: 109.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 274.64
ACD/KOC (pH 5.5): 1937.66
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 274.65
ACD/KOC (pH 7.4): 1937.67
Polar Surface Area: 60 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 310.2±7.0 cm3

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