ChemSpider 2D Image | Ethyl 4-({2-[3-(hydroxymethyl)-1,4'-bipiperidin-1'-yl]-6-(2-methoxyphenyl)-3-pyridinyl}carbonyl)-1-piperazinecarboxylate | C31H43N5O5

Ethyl 4-({2-[3-(hydroxymethyl)-1,4'-bipiperidin-1'-yl]-6-(2-methoxyphenyl)-3-pyridinyl}carbonyl)-1-piperazinecarboxylate

  • Molecular FormulaC31H43N5O5
  • Average mass565.704 Da
  • Monoisotopic mass565.326416 Da
  • ChemSpider ID22150262

More details:

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

1-Piperazinecarboxylic acid, 4-[[2-[3-(hydroxymethyl)[1,4'-bipiperidin]-1'-yl]-6-(2-methoxyphenyl)-3-pyridinyl]carbonyl]-, ethyl ester [ACD/Index Name]
4-({2-[3-(Hydroxyméthyl)-1,4'-bipipéridin-1'-yl]-6-(2-méthoxyphényl)-3-pyridinyl}carbonyl)-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-({2-[3-(hydroxymethyl)-1,4'-bipiperidin-1'-yl]-6-(2-methoxyphenyl)-3-pyridinyl}carbonyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-({2-[3-(hydroxymethyl)-1,4'-bipiperidin-1'-yl]-6-(2-methoxyphenyl)-3-pyridinyl}carbonyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
ethyl 4-{[2-[3-(hydroxymethyl)-1,4'-bipiperidin-1'-yl]-6-(2-methoxyphenyl)-3-pyridinyl]carbonyl}-1-piperazinecarboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 721.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.7±3.0 kJ/mol
Flash Point: 390.2±32.9 °C
Index of Refraction: 1.586
Molar Refractivity: 155.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.15
ACD/LogD (pH 5.5): -1.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.39
Polar Surface Area: 99 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 464.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement