ChemSpider 2D Image | 1-{[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-4-(2-pyridinylmethyl)piperazine | C20H29N3

1-{[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-4-(2-pyridinylmethyl)piperazine

  • Molecular FormulaC20H29N3
  • Average mass311.464 Da
  • Monoisotopic mass311.236145 Da
  • ChemSpider ID32065089

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-{[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-4-(2-pyridinylmethyl)piperazin [German] [ACD/IUPAC Name]
1-{[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-4-(2-pyridinylmethyl)piperazine [ACD/IUPAC Name]
1-{[(1R,5S)-6,6-Diméthylbicyclo[3.1.1]hept-2-én-2-yl]méthyl}-4-(2-pyridinylméthyl)pipérazine [French] [ACD/IUPAC Name]
Piperazine, 1-[[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl]-4-(2-pyridinylmethyl)- [ACD/Index Name]
1-{[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-4-(pyridin-2-ylmethyl)piperazine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 410.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.2±3.0 kJ/mol
Flash Point: 201.8±27.3 °C
Index of Refraction: 1.571
Molar Refractivity: 94.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 5.32
ACD/KOC (pH 5.5): 35.01
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 208.37
ACD/KOC (pH 7.4): 1372.44
Polar Surface Area: 19 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 288.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement