ChemSpider 2D Image | (1-{[3-(4-Cyclohexylphenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-piperidinyl)(1-piperidinyl)methanone | C28H40N4O

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

  • Molecular FormulaC28H40N4O
  • Average mass448.643 Da
  • Monoisotopic mass448.320221 Da
  • ChemSpider ID22229977

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)(1-piperidinyl)methanon [German] [ACD/IUPAC Name]
(1-{[3-(4-Cyclohexylphenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-piperidinyl)(1-piperidinyl)methanone [ACD/IUPAC Name]
(1-{[3-(4-Cyclohexylphényl)-1-méthyl-1H-pyrazol-4-yl]méthyl}-4-pipéridinyl)(1-pipéridinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [1-[[3-(4-cyclohexylphenyl)-1-methyl-1H-pyrazol-4-yl]methyl]-4-piperidinyl]-1-piperidinyl- [ACD/Index Name]
1-{[3-(4-cyclohexylphenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-(1-piperidinylcarbonyl)piperidine
1-{[3-(4-CYCLOHEXYLPHENYL)-1-METHYL-1H-PYRAZOL-4-YL]METHYL}-4-(PIPERIDINE-1-CARBONYL)PIPERIDINE
1-{[3-(4-CYCLOHEXYLPHENYL)-1-METHYLPYRAZOL-4-YL]METHYL}-4-(PIPERIDINE-1-CARBONYL)PIPERIDINE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 626.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 332.8±31.5 °C
Index of Refraction: 1.638
Molar Refractivity: 134.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 30.22
ACD/KOC (pH 5.5): 108.43
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1276.09
ACD/KOC (pH 7.4): 4578.56
Polar Surface Area: 41 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 47.6±7.0 dyne/cm
Molar Volume: 373.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement