ChemSpider 2D Image | (1S,9aR)-1-[(4-Phenyl-1-piperidinyl)methyl]octahydro-2H-quinolizine | C21H32N2

(1S,9aR)-1-[(4-Phenyl-1-piperidinyl)methyl]octahydro-2H-quinolizine

  • Molecular FormulaC21H32N2
  • Average mass312.492 Da
  • Monoisotopic mass312.256561 Da
  • ChemSpider ID29460300

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,9aR)-1-[(4-Phenyl-1-piperidinyl)methyl]octahydro-2H-chinolizin [German] [ACD/IUPAC Name]
(1S,9aR)-1-[(4-Phenyl-1-piperidinyl)methyl]octahydro-2H-quinolizine [ACD/IUPAC Name]
(1S,9aR)-1-[(4-Phényl-1-pipéridinyl)méthyl]octahydro-2H-quinolizine [French] [ACD/IUPAC Name]
2H-Quinolizine, octahydro-1-[(4-phenyl-1-piperidinyl)methyl]-, (1S,9aR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 429.6±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 191.6±14.6 °C
Index of Refraction: 1.580
Molar Refractivity: 97.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.11
Polar Surface Area: 6 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 45.4±5.0 dyne/cm
Molar Volume: 293.9±5.0 cm3

Click to predict properties on the Chemicalize site


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