ChemSpider 2D Image | 2-Methyl-2-propanyl (3R)-4-benzyl-3-(hydroxymethyl)-1-piperazinecarboxylate | C17H26N2O3

2-Methyl-2-propanyl (3R)-4-benzyl-3-(hydroxymethyl)-1-piperazinecarboxylate

  • Molecular FormulaC17H26N2O3
  • Average mass306.400 Da
  • Monoisotopic mass306.194336 Da
  • ChemSpider ID32792483

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-4-Benzyl-3-(hydroxyméthyl)-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Piperazinecarboxylic acid, 3-(hydroxymethyl)-4-(phenylmethyl)-, 1,1-dimethylethyl ester, (3R)- [ACD/Index Name]
2-Methyl-2-propanyl (3R)-4-benzyl-3-(hydroxymethyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3R)-4-benzyl-3-(hydroxymethyl)-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: 416.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 205.8±25.9 °C
Index of Refraction: 1.542
Molar Refractivity: 85.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 8.92
ACD/KOC (pH 5.5): 100.21
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 50.31
ACD/KOC (pH 7.4): 565.03
Polar Surface Area: 53 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 272.6±3.0 cm3

Click to predict properties on the Chemicalize site


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