ChemSpider 2D Image | 5-(4-Fluoro-3-methoxybenzyl)-5-[3-(3-methyl-1-piperidinyl)-3-oxopropyl]-2-pyrrolidinone | C21H29FN2O3

5-(4-Fluoro-3-methoxybenzyl)-5-[3-(3-methyl-1-piperidinyl)-3-oxopropyl]-2-pyrrolidinone

  • Molecular FormulaC21H29FN2O3
  • Average mass376.465 Da
  • Monoisotopic mass376.216217 Da
  • ChemSpider ID22166751

More details:

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

2-Pyrrolidinone, 5-[(4-fluoro-3-methoxyphenyl)methyl]-5-[3-(3-methyl-1-piperidinyl)-3-oxopropyl]- [ACD/Index Name]
5-(4-Fluor-3-methoxybenzyl)-5-[3-(3-methyl-1-piperidinyl)-3-oxopropyl]-2-pyrrolidinon [German] [ACD/IUPAC Name]
5-(4-Fluoro-3-methoxybenzyl)-5-[3-(3-methyl-1-piperidinyl)-3-oxopropyl]-2-pyrrolidinone [ACD/IUPAC Name]
5-(4-Fluoro-3-méthoxybenzyl)-5-[3-(3-méthyl-1-pipéridinyl)-3-oxopropyl]-2-pyrrolidinone [French] [ACD/IUPAC Name]
5-[(4-FLUORO-3-METHOXYPHENYL)METHYL]-5-[3-(3-METHYLPIPERIDIN-1-YL)-3-OXOPROPYL]PYRROLIDIN-2-ONE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 587.0±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 308.8±24.6 °C
Index of Refraction: 1.528
Molar Refractivity: 100.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 62.06
ACD/KOC (pH 5.5): 668.18
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 62.06
ACD/KOC (pH 7.4): 668.18
Polar Surface Area: 59 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 327.5±3.0 cm3

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