ChemSpider 2D Image | (1S,9aR)-1-{[4-(2-Pyridinylmethyl)-1-piperazinyl]methyl}octahydro-2H-quinolizine | C20H32N4

(1S,9aR)-1-{[4-(2-Pyridinylmethyl)-1-piperazinyl]methyl}octahydro-2H-quinolizine

  • Molecular FormulaC20H32N4
  • Average mass328.495 Da
  • Monoisotopic mass328.262695 Da
  • ChemSpider ID52586112

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,9aR)-1-{[4-(2-Pyridinylmethyl)-1-piperazinyl]methyl}octahydro-2H-chinolizin [German] [ACD/IUPAC Name]
(1S,9aR)-1-{[4-(2-Pyridinylmethyl)-1-piperazinyl]methyl}octahydro-2H-quinolizine [ACD/IUPAC Name]
(1S,9aR)-1-{[4-(2-Pyridinylméthyl)-1-pipérazinyl]méthyl}octahydro-2H-quinolizine [French] [ACD/IUPAC Name]
2H-Quinolizine, octahydro-1-[[4-(2-pyridinylmethyl)-1-piperazinyl]methyl]-, (1S,9aR)- [ACD/Index Name]
(1S,9aR)-1-{[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl}octahydro-2H-quinolizine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 448.0±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 224.7±24.6 °C
Index of Refraction: 1.596
Molar Refractivity: 99.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.44
ACD/LogD (pH 5.5): -1.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 23 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 292.5±5.0 cm3

Click to predict properties on the Chemicalize site


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