ChemSpider 2D Image | 2-Methyl-2-propanyl (3S)-3-benzyl-4-oxo-1-piperidinecarboxylate | C17H23NO3

2-Methyl-2-propanyl (3S)-3-benzyl-4-oxo-1-piperidinecarboxylate

  • Molecular FormulaC17H23NO3
  • Average mass289.369 Da
  • Monoisotopic mass289.167786 Da
  • ChemSpider ID32789661

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Benzyl-4-oxo-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Piperidinecarboxylic acid, 4-oxo-3-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S)- [ACD/Index Name]
2-Methyl-2-propanyl (3S)-3-benzyl-4-oxo-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3S)-3-benzyl-4-oxo-1-piperidincarboxylat [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: 409.0±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.1±3.0 kJ/mol
Flash Point: 201.2±26.8 °C
Index of Refraction: 1.535
Molar Refractivity: 80.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 126.72
ACD/KOC (pH 5.5): 1113.84
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 126.72
ACD/KOC (pH 7.4): 1113.84
Polar Surface Area: 47 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 259.5±3.0 cm3

Click to predict properties on the Chemicalize site


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