ChemSpider 2D Image | 1'-{2-(2-Chlorophenyl)-6-[4-(4-nitrophenyl)-1-piperazinyl]-4-pyrimidinyl}-1,4'-bipiperidine | C30H36ClN7O2

1'-{2-(2-Chlorophenyl)-6-[4-(4-nitrophenyl)-1-piperazinyl]-4-pyrimidinyl}-1,4'-bipiperidine

  • Molecular FormulaC30H36ClN7O2
  • Average mass562.106 Da
  • Monoisotopic mass561.261902 Da
  • ChemSpider ID121230938

More details:

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

1'-{2-(2-Chlorophenyl)-6-[4-(4-nitrophenyl)-1-piperazinyl]-4-pyrimidinyl}-1,4'-bipiperidine [ACD/IUPAC Name]
1'-{2-(2-Chlorophényl)-6-[4-(4-nitrophényl)-1-pipérazinyl]-4-pyrimidinyl}-1,4'-bipipéridine [French] [ACD/IUPAC Name]
1'-{2-(2-Chlorphenyl)-6-[4-(4-nitrophenyl)-1-piperazinyl]-4-pyrimidinyl}-1,4'-bipiperidin [German] [ACD/IUPAC Name]
Pyrimidine, 4-[1,4'-bipiperidin]-1'-yl-2-(2-chlorophenyl)-6-[4-(4-nitrophenyl)-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 689.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 370.5±31.5 °C
Index of Refraction: 1.635
Molar Refractivity: 156.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.31
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 1.58
ACD/KOC (pH 7.4): 4.78
Polar Surface Area: 85 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 59.1±3.0 dyne/cm
Molar Volume: 435.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement