ChemSpider 2D Image | Benzyl (2S)-2-benzyl-4-oxo-1-piperidinecarboxylate | C20H21NO3

Benzyl (2S)-2-benzyl-4-oxo-1-piperidinecarboxylate

  • Molecular FormulaC20H21NO3
  • Average mass323.386 Da
  • Monoisotopic mass323.152130 Da
  • ChemSpider ID28542035

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Benzyl-4-oxo-1-pipéridinecarboxylate de benzyle [French] [ACD/IUPAC Name]
1-Piperidinecarboxylic acid, 4-oxo-2-(phenylmethyl)-, phenylmethyl ester, (2S)- [ACD/Index Name]
Benzyl (2S)-2-benzyl-4-oxo-1-piperidinecarboxylate [ACD/IUPAC Name]
Benzyl-(2S)-2-benzyl-4-oxo-1-piperidincarboxylat [German] [ACD/IUPAC Name]
(S)-benzyl 2-benzyl-4-oxopiperidine-1-carboxylate
1391729-84-2 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 486.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 248.1±28.7 °C
Index of Refraction: 1.590
Molar Refractivity: 91.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 178.25
ACD/KOC (pH 5.5): 1422.00
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 178.25
ACD/KOC (pH 7.4): 1422.00
Polar Surface Area: 47 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 270.6±3.0 cm3

Click to predict properties on the Chemicalize site


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