ChemSpider 2D Image | Cyclohexyl(4-{[(1S,6R)-8,8-dimethylbicyclo[4.2.0]oct-7-yl]amino}-1-piperidinyl)methanone | C22H38N2O

Cyclohexyl(4-{[(1S,6R)-8,8-dimethylbicyclo[4.2.0]oct-7-yl]amino}-1-piperidinyl)methanone

  • Molecular FormulaC22H38N2O
  • Average mass346.550 Da
  • Monoisotopic mass346.298401 Da
  • ChemSpider ID62274906

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

Cyclohexyl(4-{[(1S,6R)-8,8-dimethylbicyclo[4.2.0]oct-7-yl]amino}-1-piperidinyl)methanon [German] [ACD/IUPAC Name]
Cyclohexyl(4-{[(1S,6R)-8,8-dimethylbicyclo[4.2.0]oct-7-yl]amino}-1-piperidinyl)methanone [ACD/IUPAC Name]
Cyclohexyl(4-{[(1S,6R)-8,8-diméthylbicyclo[4.2.0]oct-7-yl]amino}-1-pipéridinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, cyclohexyl[4-[[(1S,6R)-8,8-dimethylbicyclo[4.2.0]oct-7-yl]amino]-1-piperidinyl]- [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: 487.6±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 248.7±26.8 °C
Index of Refraction: 1.540
Molar Refractivity: 103.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 1.57
ACD/KOC (pH 5.5): 6.43
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 8.56
ACD/KOC (pH 7.4): 35.06
Polar Surface Area: 32 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 42.3±5.0 dyne/cm
Molar Volume: 329.2±5.0 cm3

Click to predict properties on the Chemicalize site


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