ChemSpider 2D Image | Benzyl (3S)-3-(2-methoxy-2-oxoethyl)-1-piperidinecarboxylate | C16H21NO4

Benzyl (3S)-3-(2-methoxy-2-oxoethyl)-1-piperidinecarboxylate

  • Molecular FormulaC16H21NO4
  • Average mass291.342 Da
  • Monoisotopic mass291.147064 Da
  • ChemSpider ID29359095

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-(2-Méthoxy-2-oxoéthyl)-1-pipéridinecarboxylate de benzyle [French] [ACD/IUPAC Name]
1253792-17-4 [RN]
3-Piperidineacetic acid, 1-[(phenylmethoxy)carbonyl]-, methyl ester, (3S)- [ACD/Index Name]
Benzyl (3S)-3-(2-methoxy-2-oxoethyl)-1-piperidinecarboxylate [ACD/IUPAC Name]
Benzyl-(3S)-3-(2-methoxy-2-oxoethyl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
(S)-1-Cbz-3-Piperidineacetic acid methyl ester
(S)-Benzyl 3-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
Benzyl (3S)-3-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 402.9±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.4±3.0 kJ/mol
Flash Point: 197.5±24.0 °C
Index of Refraction: 1.526
Molar Refractivity: 77.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 92.40
ACD/KOC (pH 5.5): 888.43
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 92.40
ACD/KOC (pH 7.4): 888.43
Polar Surface Area: 56 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 253.4±3.0 cm3

Click to predict properties on the Chemicalize site


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