ChemSpider 2D Image | 5-{2-[(2-Fluorobenzyl)amino]ethyl}-1-[2-(1-piperidinyl)-2-(3-pyridinyl)ethyl]-2-pyrrolidinone | C25H33FN4O

5-{2-[(2-Fluorobenzyl)amino]ethyl}-1-[2-(1-piperidinyl)-2-(3-pyridinyl)ethyl]-2-pyrrolidinone

  • Molecular FormulaC25H33FN4O
  • Average mass424.554 Da
  • Monoisotopic mass424.263855 Da
  • ChemSpider ID22126971

More details:

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

2-Pyrrolidinone, 5-[2-[[(2-fluorophenyl)methyl]amino]ethyl]-1-[2-(1-piperidinyl)-2-(3-pyridinyl)ethyl]- [ACD/Index Name]
5-{2-[(2-Fluorbenzyl)amino]ethyl}-1-[2-(1-piperidinyl)-2-(3-pyridinyl)ethyl]-2-pyrrolidinon [German] [ACD/IUPAC Name]
5-{2-[(2-Fluorobenzyl)amino]ethyl}-1-[2-(1-piperidinyl)-2-(3-pyridinyl)ethyl]-2-pyrrolidinone [ACD/IUPAC Name]
5-{2-[(2-Fluorobenzyl)amino]éthyl}-1-[2-(1-pipéridinyl)-2-(3-pyridinyl)éthyl]-2-pyrrolidinone [French] [ACD/IUPAC Name]
5-(2-{[(2-FLUOROPHENYL)METHYL]AMINO}ETHYL)-1-[2-(PIPERIDIN-1-YL)-2-(PYRIDIN-3-YL)ETHYL]PYRROLIDIN-2-ONE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 592.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 312.2±30.1 °C
Index of Refraction: 1.573
Molar Refractivity: 120.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.65
ACD/LogD (pH 5.5): -1.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 3.51
ACD/KOC (pH 7.4): 34.25
Polar Surface Area: 48 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 366.4±3.0 cm3

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