ChemSpider 2D Image | 2-Methyl-2-propanyl (3S)-3-(3-methoxyphenyl)-1-piperazinecarboxylate | C16H24N2O3

2-Methyl-2-propanyl (3S)-3-(3-methoxyphenyl)-1-piperazinecarboxylate

  • Molecular FormulaC16H24N2O3
  • Average mass292.373 Da
  • Monoisotopic mass292.178680 Da
  • ChemSpider ID32789490

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-(3-Méthoxyphényl)-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Piperazinecarboxylic acid, 3-(3-methoxyphenyl)-, 1,1-dimethylethyl ester, (3S)- [ACD/Index Name]
2-Methyl-2-propanyl (3S)-3-(3-methoxyphenyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3S)-3-(3-methoxyphenyl)-1-piperazincarboxylat [German] [ACD/IUPAC 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: 404.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.6±3.0 kJ/mol
Flash Point: 198.6±28.7 °C
Index of Refraction: 1.517
Molar Refractivity: 81.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.30
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 13.63
ACD/KOC (pH 7.4): 160.79
Polar Surface Area: 51 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 268.9±3.0 cm3

Click to predict properties on the Chemicalize site


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