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ChemSpider 2D Image | 4-(4-Chlorophenyl)-1-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]-4-piperidinol | C21H31ClN2O

4-(4-Chlorophenyl)-1-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]-4-piperidinol

  • Molecular FormulaC21H31ClN2O
  • Average mass362.937 Da
  • Monoisotopic mass362.212494 Da
  • ChemSpider ID52573255
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

4-(4-Chlorophenyl)-1-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]-4-piperidinol [ACD/IUPAC Name]
4-(4-Chlorophényl)-1-[(1S,9aR)-octahydro-2H-quinolizin-1-ylméthyl]-4-pipéridinol [French] [ACD/IUPAC Name]
4-(4-Chlorphenyl)-1-[(1S,9aR)-octahydro-2H-chinolizin-1-ylmethyl]-4-piperidinol [German] [ACD/IUPAC Name]
4-Piperidinol, 4-(4-chlorophenyl)-1-[[(1S,9aR)-octahydro-2H-quinolizin-1-yl]methyl]- [ACD/Index Name]
4-(4-chlorophenyl)-1-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]piperidin-4-ol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 504.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 258.7±30.1 °C
Index of Refraction: 1.606
Molar Refractivity: 104.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): -0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.30
Polar Surface Area: 27 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 301.9±5.0 cm3

Click to predict properties on the Chemicalize site






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