ChemSpider 2D Image | {3-[5-(2-Chlorophenyl)-4-pyrimidinyl]-1-piperidinyl}[4-(1-piperidinylmethyl)phenyl]methanone | C28H31ClN4O

{3-[5-(2-Chlorophenyl)-4-pyrimidinyl]-1-piperidinyl}[4-(1-piperidinylmethyl)phenyl]methanone

  • Molecular FormulaC28H31ClN4O
  • Average mass475.025 Da
  • Monoisotopic mass474.218628 Da
  • ChemSpider ID22125378

More details:

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

{3-[5-(2-Chlorophenyl)-4-pyrimidinyl]-1-piperidinyl}[4-(1-piperidinylmethyl)phenyl]methanone [ACD/IUPAC Name]
{3-[5-(2-Chlorophényl)-4-pyrimidinyl]-1-pipéridinyl}[4-(1-pipéridinylméthyl)phényl]méthanone [French] [ACD/IUPAC Name]
{3-[5-(2-Chlorphenyl)-4-pyrimidinyl]-1-piperidinyl}[4-(1-piperidinylmethyl)phenyl]methanon [German] [ACD/IUPAC Name]
Methanone, [3-[5-(2-chlorophenyl)-4-pyrimidinyl]-1-piperidinyl][4-(1-piperidinylmethyl)phenyl]- [ACD/Index Name]
5-(2-chlorophenyl)-4-{1-[4-(1-piperidinylmethyl)benzoyl]-3-piperidinyl}pyrimidine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 635.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 338.3±31.5 °C
Index of Refraction: 1.616
Molar Refractivity: 135.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 1.70
ACD/KOC (pH 5.5): 7.85
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 56.71
ACD/KOC (pH 7.4): 262.60
Polar Surface Area: 49 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 388.8±3.0 cm3

Click to predict properties on the Chemicalize site


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