ChemSpider 2D Image | (1R,4S)-2-{2-[4-(2-Chlorophenyl)-1-piperazinyl]ethyl}-2-azabicyclo[2.2.1]heptane | C18H26ClN3

(1R,4S)-2-{2-[4-(2-Chlorophenyl)-1-piperazinyl]ethyl}-2-azabicyclo[2.2.1]heptane

  • Molecular FormulaC18H26ClN3
  • Average mass319.872 Da
  • Monoisotopic mass319.181519 Da
  • ChemSpider ID35096937

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,4S)-2-{2-[4-(2-Chlorophenyl)-1-piperazinyl]ethyl}-2-azabicyclo[2.2.1]heptane [ACD/IUPAC Name]
(1R,4S)-2-{2-[4-(2-Chlorophényl)-1-pipérazinyl]éthyl}-2-azabicyclo[2.2.1]heptane [French] [ACD/IUPAC Name]
(1R,4S)-2-{2-[4-(2-Chlorphenyl)-1-piperazinyl]ethyl}-2-azabicyclo[2.2.1]heptan [German] [ACD/IUPAC Name]
2-Azabicyclo[2.2.1]heptane, 2-[2-[4-(2-chlorophenyl)-1-piperazinyl]ethyl]-, (1R,4S)- [ACD/Index Name]
2-{2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl}-2-azabicyclo[2.2.1]heptane

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

Density: 1.2±0.1 g/cm3
Boiling Point: 423.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 209.9±28.7 °C
Index of Refraction: 1.581
Molar Refractivity: 91.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): -0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 1.51
ACD/KOC (pH 7.4): 13.36
Polar Surface Area: 10 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 274.6±3.0 cm3

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