ChemSpider 2D Image | (3S)-1-(3,4,5-Triethoxybenzoyl)-3-piperidinecarboxylic acid | C19H27NO6

(3S)-1-(3,4,5-Triethoxybenzoyl)-3-piperidinecarboxylic acid

  • Molecular FormulaC19H27NO6
  • Average mass365.421 Da
  • Monoisotopic mass365.183838 Da
  • ChemSpider ID53933200
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3S)-1-(3,4,5-Triethoxybenzoyl)-3-piperidincarbonsäure [German] [ACD/IUPAC Name]
(3S)-1-(3,4,5-Triethoxybenzoyl)-3-piperidinecarboxylic acid [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-(3,4,5-triethoxybenzoyl)-, (3S)- [ACD/Index Name]
Acide (3S)-1-(3,4,5-triéthoxybenzoyl)-3-pipéridinecarboxylique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 568.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 297.7±30.1 °C
Index of Refraction: 1.537
Molar Refractivity: 96.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 2.86
ACD/KOC (pH 5.5): 33.66
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 85 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 308.3±3.0 cm3

Click to predict properties on the Chemicalize site






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