ChemSpider 2D Image | Methyl 3-{(3S,4R)-4-[4-(2-fluorophenyl)-1-piperazinyl]-1-[(2E)-3-(2-methoxyphenyl)-2-propen-1-yl]-3-piperidinyl}propanoate | C29H38FN3O3

Methyl 3-{(3S,4R)-4-[4-(2-fluorophenyl)-1-piperazinyl]-1-[(2E)-3-(2-methoxyphenyl)-2-propen-1-yl]-3-piperidinyl}propanoate

  • Molecular FormulaC29H38FN3O3
  • Average mass495.629 Da
  • Monoisotopic mass495.289734 Da
  • ChemSpider ID22867047

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-{(3S,4R)-4-[4-(2-Fluorophényl)-1-pipérazinyl]-1-[(2E)-3-(2-méthoxyphényl)-2-propén-1-yl]-3-pipéridinyl}propanoate de méthyle [French] [ACD/IUPAC Name]
3-Piperidinepropanoic acid, 4-[4-(2-fluorophenyl)-1-piperazinyl]-1-[(2E)-3-(2-methoxyphenyl)-2-propen-1-yl]-, methyl ester, (3S,4R)- [ACD/Index Name]
Methyl 3-{(3S,4R)-4-[4-(2-fluorophenyl)-1-piperazinyl]-1-[(2E)-3-(2-methoxyphenyl)-2-propen-1-yl]-3-piperidinyl}propanoate [ACD/IUPAC Name]
Methyl-3-{(3S,4R)-4-[4-(2-fluorphenyl)-1-piperazinyl]-1-[(2E)-3-(2-methoxyphenyl)-2-propen-1-yl]-3-piperidinyl}propanoat [German] [ACD/IUPAC Name]
methyl 3-{(3S*,4R*)-4-[4-(2-fluorophenyl)-1-piperazinyl]-1-[(2E)-3-(2-methoxyphenyl)-2-propen-1-yl]-3-piperidinyl}propanoate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 604.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 319.3±31.5 °C
Index of Refraction: 1.570
Molar Refractivity: 141.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 1.67
ACD/KOC (pH 5.5): 5.93
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 347.33
ACD/KOC (pH 7.4): 1236.83
Polar Surface Area: 45 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 432.6±3.0 cm3

Click to predict properties on the Chemicalize site


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