ChemSpider 2D Image | (4-{3-[(1R,5R)-3-(2-Methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]propyl}-4-phenyl-1-piperidinyl)(phenyl)methanone | C36H42N4O

(4-{3-[(1R,5R)-3-(2-Methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]propyl}-4-phenyl-1-piperidinyl)(phenyl)methanone

  • Molecular FormulaC36H42N4O
  • Average mass546.745 Da
  • Monoisotopic mass546.335876 Da
  • ChemSpider ID23343022

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4-{3-[(1R,5R)-3-(2-Methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]propyl}-4-phenyl-1-piperidinyl)(phenyl)methanon [German] [ACD/IUPAC Name]
(4-{3-[(1R,5R)-3-(2-Methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]propyl}-4-phenyl-1-piperidinyl)(phenyl)methanone [ACD/IUPAC Name]
(4-{3-[(1R,5R)-3-(2-Méthyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]propyl}-4-phényl-1-pipéridinyl)(phényl)méthanone [French] [ACD/IUPAC Name]
Methanone, [4-[3-[(1R,5R)-3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]propyl]-4-phenyl-1-piperidinyl]phenyl- [ACD/Index Name]
(4-{3-[(1R,5R)-3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]propyl}-4-phenylpiperidin-1-yl)(phenyl)methanone
exo-(4-{3-[3-(2-Methyl-benzoimidazol-1-yl)-8-aza-bicyclo[3.2.1]oct-8-yl]-propyl}-4-phenyl-piperidin-1-yl)-phenyl-methanone

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

Density: 1.2±0.1 g/cm3
Boiling Point: 724.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 392.0±32.9 °C
Index of Refraction: 1.662
Molar Refractivity: 166.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.52
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 5.07
ACD/KOC (pH 5.5): 11.22
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 18.60
ACD/KOC (pH 7.4): 41.14
Polar Surface Area: 41 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 49.7±7.0 dyne/cm
Molar Volume: 450.4±7.0 cm3

Click to predict properties on the Chemicalize site


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