ChemSpider 2D Image | 1-Benzyl 3-ethyl (3R)-3-methyl-1,3-piperidinedicarboxylate | C17H23NO4

1-Benzyl 3-ethyl (3R)-3-methyl-1,3-piperidinedicarboxylate

  • Molecular FormulaC17H23NO4
  • Average mass305.369 Da
  • Monoisotopic mass305.162720 Da
  • ChemSpider ID32791238

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-Méthyl-1,3-pipéridinedicarboxylate de 1-benzyle et de 3-éthyle [French] [ACD/IUPAC Name]
1,3-Piperidinedicarboxylic acid, 3-methyl-, 3-ethyl 1-(phenylmethyl) ester, (3R)- [ACD/Index Name]
1-Benzyl 3-ethyl (3R)-3-methyl-1,3-piperidinedicarboxylate [ACD/IUPAC Name]
1-Benzyl-3-ethyl-(3R)-3-methyl-1,3-piperidindicarboxylat [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: 406.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.8±3.0 kJ/mol
Flash Point: 199.3±28.7 °C
Index of Refraction: 1.525
Molar Refractivity: 82.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 170.19
ACD/KOC (pH 5.5): 1375.64
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 170.19
ACD/KOC (pH 7.4): 1375.64
Polar Surface Area: 56 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 268.4±3.0 cm3

Click to predict properties on the Chemicalize site


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