ChemSpider 2D Image | (1-{[3-(4-Cyclohexylphenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-piperidinyl)(3-pyridinyl)methanol | C28H36N4O

(1-{[3-(4-Cyclohexylphenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-piperidinyl)(3-pyridinyl)methanol

  • Molecular FormulaC28H36N4O
  • Average mass444.612 Da
  • Monoisotopic mass444.288910 Da
  • ChemSpider ID22173445

More details:

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

(1-{[3-(4-Cyclohexylphenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-piperidinyl)(3-pyridinyl)methanol [ACD/IUPAC Name]
(1-{[3-(4-Cyclohexylphenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-piperidinyl)(3-pyridinyl)methanol [German] [ACD/IUPAC Name]
(1-{[3-(4-Cyclohexylphényl)-1-méthyl-1H-pyrazol-4-yl]méthyl}-4-pipéridinyl)(3-pyridinyl)méthanol [French] [ACD/IUPAC Name]
3-Pyridinemethanol, α-[1-[[3-(4-cyclohexylphenyl)-1-methyl-1H-pyrazol-4-yl]methyl]-4-piperidinyl]- [ACD/Index Name]
(1-{[3-(4-CYCLOHEXYLPHENYL)-1-METHYL-1H-PYRAZOL-4-YL]METHYL}PIPERIDIN-4-YL)(PYRIDIN-3-YL)METHANOL
(1-{[3-(4-CYCLOHEXYLPHENYL)-1-METHYLPYRAZOL-4-YL]METHYL}PIPERIDIN-4-YL)(PYRIDIN-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: 630.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 334.9±31.5 °C
Index of Refraction: 1.646
Molar Refractivity: 133.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 1.88
ACD/KOC (pH 5.5): 10.50
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 146.18
ACD/KOC (pH 7.4): 817.57
Polar Surface Area: 54 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 47.9±7.0 dyne/cm
Molar Volume: 367.8±7.0 cm3

Click to predict properties on the Chemicalize site


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