ChemSpider 2D Image | (3s,5s,7s)-Adamantan-1-yl(4-benzyl-1-piperazinyl)methanone | C22H30N2O

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

  • Molecular FormulaC22H30N2O
  • Average mass338.486 Da
  • Monoisotopic mass338.235809 Da
  • ChemSpider ID59760189

  • 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-benzyl-1-piperazinyl)methanon [German] [ACD/IUPAC Name]
(3s,5s,7s)-Adamantan-1-yl(4-benzyl-1-piperazinyl)methanone [ACD/IUPAC Name]
(3s,5s,7s)-Adamantan-1-yl(4-benzyl-1-pipérazinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [4-(phenylmethyl)-1-piperazinyl]tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]
31879-79-5 [RN]
adamantanyl 4-benzylpiperazinyl ketone

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

Density: 1.2±0.1 g/cm3
Boiling Point: 486.8±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 203.4±19.1 °C
Index of Refraction: 1.606
Molar Refractivity: 99.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 134.51
ACD/KOC (pH 5.5): 816.41
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 452.26
ACD/KOC (pH 7.4): 2745.04
Polar Surface Area: 24 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 288.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement