ChemSpider 2D Image | 3-(4,4-Diphenyl-1-piperidinyl)propyl (5Z)-5-[hydroxy(methoxy)methylene]-2,6-dimethyl-4-(4-nitrophenyl)-4,5-dihydro-3-pyridinecarboxylate | C36H39N3O6

3-(4,4-Diphenyl-1-piperidinyl)propyl (5Z)-5-[hydroxy(methoxy)methylene]-2,6-dimethyl-4-(4-nitrophenyl)-4,5-dihydro-3-pyridinecarboxylate

  • Molecular FormulaC36H39N3O6
  • Average mass609.711 Da
  • Monoisotopic mass609.283875 Da
  • ChemSpider ID23135855

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z)-5-[Hydroxy(méthoxy)méthylène]-2,6-diméthyl-4-(4-nitrophényl)-4,5-dihydro-3-pyridinecarboxylate de 3-(4,4-diphényl-1-pipéridinyl)propyle [French] [ACD/IUPAC Name]
3-(4,4-Diphenyl-1-piperidinyl)propyl (5Z)-5-[hydroxy(methoxy)methylene]-2,6-dimethyl-4-(4-nitrophenyl)-4,5-dihydro-3-pyridinecarboxylate [ACD/IUPAC Name]
3-(4,4-Diphenyl-1-piperidinyl)propyl-(5Z)-5-[hydroxy(methoxy)methylen]-2,6-dimethyl-4-(4-nitrophenyl)-4,5-dihydro-3-pyridincarboxylat [German] [ACD/IUPAC Name]
3-(4,4-diphenylpiperidin-1-yl)propyl (5Z)-5-[hydroxy(methoxy)methylidene]-2,6-dimethyl-4-(4-nitrophenyl)-4,5-dihydropyridine-3-carboxylate
3-Pyridinecarboxylic acid, 4,5-dihydro-5-(hydroxymethoxymethylene)-2,6-dimethyl-4-(4-nitrophenyl)-, 3-(4,4-diphenyl-1-piperidinyl)propyl ester, (5Z)- [ACD/Index Name]
2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-[3-(4,4-diphenyl-piperidin-1-yl)-propyl] ester 5-methyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL290860/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 731.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 396.3±32.9 °C
Index of Refraction: 1.609
Molar Refractivity: 172.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.08
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 36.12
ACD/KOC (pH 5.5): 76.09
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 1410.11
ACD/KOC (pH 7.4): 2970.33
Polar Surface Area: 117 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 47.6±7.0 dyne/cm
Molar Volume: 499.5±7.0 cm3

Click to predict properties on the Chemicalize site


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