ChemSpider 2D Image | 1'-{[1-(2,5-Dimethylphenyl)-3-phenyl-1H-pyrazol-4-yl]methyl}-1,4'-bipiperidin-3-ol | C28H36N4O

1'-{[1-(2,5-Dimethylphenyl)-3-phenyl-1H-pyrazol-4-yl]methyl}-1,4'-bipiperidin-3-ol

  • Molecular FormulaC28H36N4O
  • Average mass444.612 Da
  • Monoisotopic mass444.288910 Da
  • ChemSpider ID22225354

More details:

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

[1,4'-Bipiperidin]-3-ol, 1'-[[1-(2,5-dimethylphenyl)-3-phenyl-1H-pyrazol-4-yl]methyl]- [ACD/Index Name]
1'-{[1-(2,5-Dimethylphenyl)-3-phenyl-1H-pyrazol-4-yl]methyl}-1,4'-bipiperidin-3-ol [ACD/IUPAC Name]
1'-{[1-(2,5-Dimethylphenyl)-3-phenyl-1H-pyrazol-4-yl]methyl}-1,4'-bipiperidin-3-ol [German] [ACD/IUPAC Name]
1'-{[1-(2,5-Diméthylphényl)-3-phényl-1H-pyrazol-4-yl]méthyl}-1,4'-bipipéridin-3-ol [French] [ACD/IUPAC 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: 617.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 327.3±31.5 °C
Index of Refraction: 1.639
Molar Refractivity: 134.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.95
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 75.55
ACD/KOC (pH 7.4): 309.45
Polar Surface Area: 45 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 46.5±7.0 dyne/cm
Molar Volume: 373.0±7.0 cm3

Click to predict properties on the Chemicalize site


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