ChemSpider 2D Image | (3s,5s,7s)-Adamantan-1-yl(4-cyclohexyl-1-piperazinyl)methanone | C21H34N2O

(3s,5s,7s)-Adamantan-1-yl(4-cyclohexyl-1-piperazinyl)methanone

  • Molecular FormulaC21H34N2O
  • Average mass330.508 Da
  • Monoisotopic mass330.267120 Da
  • ChemSpider ID62422125

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3s,5s,7s)-Adamantan-1-yl(4-cyclohexyl-1-piperazinyl)methanon [German] [ACD/IUPAC Name]
(3s,5s,7s)-Adamantan-1-yl(4-cyclohexyl-1-piperazinyl)methanone [ACD/IUPAC Name]
(3s,5s,7s)-Adamantan-1-yl(4-cyclohexyl-1-pipérazinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, (4-cyclohexyl-1-piperazinyl)tricyclo[3.3.1.13,7]dec-1-yl- [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: 474.8±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.8±3.0 kJ/mol
Flash Point: 195.7±19.1 °C
Index of Refraction: 1.576
Molar Refractivity: 96.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 30.34
ACD/KOC (pH 5.5): 174.55
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 459.81
ACD/KOC (pH 7.4): 2645.60
Polar Surface Area: 24 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 290.2±3.0 cm3

Click to predict properties on the Chemicalize site


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