ChemSpider 2D Image | (1R,5S)-6-Azabicyclo[3.2.1]oct-6-yl(3-chloro-4-{[1-(2,2-dimethylpropyl)-4-piperidinyl]oxy}phenyl)methanone | C24H35ClN2O2

(1R,5S)-6-Azabicyclo[3.2.1]oct-6-yl(3-chloro-4-{[1-(2,2-dimethylpropyl)-4-piperidinyl]oxy}phenyl)methanone

  • Molecular FormulaC24H35ClN2O2
  • Average mass419.000 Da
  • Monoisotopic mass418.238708 Da
  • ChemSpider ID22859337

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5S)-6-Azabicyclo[3.2.1]oct-6-yl(3-chlor-4-{[1-(2,2-dimethylpropyl)-4-piperidinyl]oxy}phenyl)methanon [German] [ACD/IUPAC Name]
(1R,5S)-6-Azabicyclo[3.2.1]oct-6-yl(3-chloro-4-{[1-(2,2-dimethylpropyl)-4-piperidinyl]oxy}phenyl)methanone [ACD/IUPAC Name]
(1R,5S)-6-Azabicyclo[3.2.1]oct-6-yl(3-chloro-4-{[1-(2,2-diméthylpropyl)-4-pipéridinyl]oxy}phényl)méthanone [French] [ACD/IUPAC Name]
Methanone, (1R,5S)-6-azabicyclo[3.2.1]oct-6-yl[3-chloro-4-[[1-(2,2-dimethylpropyl)-4-piperidinyl]oxy]phenyl]- [ACD/Index Name]
(1R*,5S*)-6-(3-chloro-4-{[1-(2,2-dimethylpropyl)-4-piperidinyl]oxy}benzoyl)-6-azabicyclo[3.2.1]octane

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

Density: 1.1±0.1 g/cm3
Boiling Point: 550.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.1±3.0 kJ/mol
Flash Point: 286.8±30.1 °C
Index of Refraction: 1.557
Molar Refractivity: 118.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 3.86
ACD/KOC (pH 5.5): 14.51
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 141.87
ACD/KOC (pH 7.4): 533.75
Polar Surface Area: 33 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 367.7±3.0 cm3

Click to predict properties on the Chemicalize site


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