ChemSpider 2D Image | (1R,6S)-9-Methyl-3-[2-(4-phenyl-1-piperazinyl)ethyl]-3,9-diazabicyclo[4.2.1]nonane | C20H32N4

(1R,6S)-9-Methyl-3-[2-(4-phenyl-1-piperazinyl)ethyl]-3,9-diazabicyclo[4.2.1]nonane

  • Molecular FormulaC20H32N4
  • Average mass328.495 Da
  • Monoisotopic mass328.262695 Da
  • ChemSpider ID35084660

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,6S)-9-Methyl-3-[2-(4-phenyl-1-piperazinyl)ethyl]-3,9-diazabicyclo[4.2.1]nonan [German] [ACD/IUPAC Name]
(1R,6S)-9-Methyl-3-[2-(4-phenyl-1-piperazinyl)ethyl]-3,9-diazabicyclo[4.2.1]nonane [ACD/IUPAC Name]
(1R,6S)-9-Méthyl-3-[2-(4-phényl-1-pipérazinyl)éthyl]-3,9-diazabicyclo[4.2.1]nonane [French] [ACD/IUPAC Name]
3,9-Diazabicyclo[4.2.1]nonane, 9-methyl-3-[2-(4-phenyl-1-piperazinyl)ethyl]-, (1R,6S)- [ACD/Index Name]
9-methyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-3,9-diazabicyclo[4.2.1]nonane

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

Density: 1.1±0.1 g/cm3
Boiling Point: 443.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.1±3.0 kJ/mol
Flash Point: 189.7±23.0 °C
Index of Refraction: 1.557
Molar Refractivity: 99.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): -1.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.79
Polar Surface Area: 13 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 309.2±3.0 cm3

Click to predict properties on the Chemicalize site


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