ChemSpider 2D Image | (1R)-3-(3,4-Dimethoxyphenyl)-1-{3-[2-(4-morpholinyl)ethoxy]phenyl}propyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)-2-piperidinecarboxylate | C36H50N2O8

(1R)-3-(3,4-Dimethoxyphenyl)-1-{3-[2-(4-morpholinyl)ethoxy]phenyl}propyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)-2-piperidinecarboxylate

  • Molecular FormulaC36H50N2O8
  • Average mass638.791 Da
  • Monoisotopic mass638.356689 Da
  • ChemSpider ID28514679

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R)-3-(3,4-Dimethoxyphenyl)-1-{3-[2-(4-morpholinyl)ethoxy]phenyl}propyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)-2-piperidinecarboxylate [ACD/IUPAC Name]
(1R)-3-(3,4-Dimethoxyphenyl)-1-{3-[2-(4-morpholinyl)ethoxy]phenyl}propyl-(2S)-1-(3,3-dimethyl-2-oxopentanoyl)-2-piperidincarboxylat [German] [ACD/IUPAC Name]
(2S)-1-(3,3-Diméthyl-2-oxopentanoyl)-2-pipéridinecarboxylate de (1R)-3-(3,4-diméthoxyphényl)-1-{3-[2-(4-morpholinyl)éthoxy]phényl}propyle [French] [ACD/IUPAC Name]
2-Piperidinecarboxylic acid, 1-(3,3-dimethyl-1,2-dioxopentyl)-, (1R)-3-(3,4-dimethoxyphenyl)-1-[3-[2-(4-morpholinyl)ethoxy]phenyl]propyl ester, (2S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 732.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 396.9±35.7 °C
Index of Refraction: 1.542
Molar Refractivity: 174.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 427.17
ACD/KOC (pH 5.5): 1400.14
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 3677.58
ACD/KOC (pH 7.4): 12054.15
Polar Surface Area: 104 Å2
Polarizability: 69.2±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 554.3±3.0 cm3

Click to predict properties on the Chemicalize site


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