ChemSpider 2D Image | [1-{[3-(4-Chlorophenyl)-1H-pyrazol-4-yl]methyl}-3-(2-methylbenzyl)-3-piperidinyl]methanol | C24H28ClN3O

[1-{[3-(4-Chlorophenyl)-1H-pyrazol-4-yl]methyl}-3-(2-methylbenzyl)-3-piperidinyl]methanol

  • Molecular FormulaC24H28ClN3O
  • Average mass409.952 Da
  • Monoisotopic mass409.192078 Da
  • ChemSpider ID22245056

More details:

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

[1-{[3-(4-Chlorophenyl)-1H-pyrazol-4-yl]methyl}-3-(2-methylbenzyl)-3-piperidinyl]methanol [ACD/IUPAC Name]
[1-{[3-(4-Chlorophényl)-1H-pyrazol-4-yl]méthyl}-3-(2-méthylbenzyl)-3-pipéridinyl]méthanol [French] [ACD/IUPAC Name]
[1-{[3-(4-Chlorphenyl)-1H-pyrazol-4-yl]methyl}-3-(2-methylbenzyl)-3-piperidinyl]methanol [German] [ACD/IUPAC Name]
3-Piperidinemethanol, 1-[[3-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-[(2-methylphenyl)methyl]- [ACD/Index Name]
(1-{[3-(4-CHLOROPHENYL)-1H-PYRAZOL-4-YL]METHYL}-3-[(2-METHYLPHENYL)METHYL]PIPERIDIN-3-YL)METHANOL

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

Density: 1.2±0.1 g/cm3
Boiling Point: 589.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 310.0±30.1 °C
Index of Refraction: 1.619
Molar Refractivity: 117.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 2.18
ACD/KOC (pH 5.5): 11.43
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 107.82
ACD/KOC (pH 7.4): 563.73
Polar Surface Area: 52 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 336.2±3.0 cm3

Click to predict properties on the Chemicalize site


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