ChemSpider 2D Image | {3-(2-Fluorobenzyl)-1-[(1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}methanol | C24H28FN3O

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

  • Molecular FormulaC24H28FN3O
  • Average mass393.497 Da
  • Monoisotopic mass393.221649 Da
  • ChemSpider ID22182005

More details:






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

{3-(2-Fluorbenzyl)-1-[(1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}methanol [German] [ACD/IUPAC Name]
{3-(2-Fluorobenzyl)-1-[(1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}methanol [ACD/IUPAC Name]
{3-(2-Fluorobenzyl)-1-[(1-méthyl-3-phényl-1H-pyrazol-4-yl)méthyl]-3-pipéridinyl}méthanol [French] [ACD/IUPAC Name]
3-Piperidinemethanol, 3-[(2-fluorophenyl)methyl]-1-[(1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]- [ACD/Index Name]
{3-[(2-FLUOROPHENYL)METHYL]-1-[(1-METHYL-3-PHENYL-1H-PYRAZOL-4-YL)METHYL]PIPERIDIN-3-YL}METHANOL
{3-[(2-FLUOROPHENYL)METHYL]-1-[(1-METHYL-3-PHENYLPYRAZOL-4-YL)METHYL]PIPERIDIN-3-YL}METHANOL

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

Density: 1.2±0.1 g/cm3
Boiling Point: 529.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 273.8±30.1 °C
Index of Refraction: 1.601
Molar Refractivity: 115.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.28
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 27.95
ACD/KOC (pH 7.4): 203.32
Polar Surface Area: 41 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 43.7±7.0 dyne/cm
Molar Volume: 335.7±7.0 cm3

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