ChemSpider 2D Image | 1-(2-Fluoro-5-methoxybenzyl)-3-hydroxy-3-({[(1-isopropylcyclopropyl)methyl]amino}methyl)-2-piperidinone | C21H31FN2O3

1-(2-Fluoro-5-methoxybenzyl)-3-hydroxy-3-({[(1-isopropylcyclopropyl)methyl]amino}methyl)-2-piperidinone

  • Molecular FormulaC21H31FN2O3
  • Average mass378.481 Da
  • Monoisotopic mass378.231873 Da
  • ChemSpider ID29572691

More details:

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

1-(2-Fluor-5-methoxybenzyl)-3-hydroxy-3-({[(1-isopropylcyclopropyl)methyl]amino}methyl)-2-piperidinon [German] [ACD/IUPAC Name]
1-(2-Fluoro-5-methoxybenzyl)-3-hydroxy-3-({[(1-isopropylcyclopropyl)methyl]amino}methyl)-2-piperidinone [ACD/IUPAC Name]
1-(2-Fluoro-5-méthoxybenzyl)-3-hydroxy-3-({[(1-isopropylcyclopropyl)méthyl]amino}méthyl)-2-pipéridinone [French] [ACD/IUPAC Name]
2-Piperidinone, 1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[[[[1-(1-methylethyl)cyclopropyl]methyl]amino]methyl]- [ACD/Index Name]
1-(2-fluoro-5-methoxybenzyl)-3-hydroxy-3-({[(1-isopropylcyclopropyl)methyl]amino}methyl)piperidin-2-one
1-[(2-FLUORO-5-METHOXYPHENYL)METHYL]-3-HYDROXY-3-({[(1-ISOPROPYLCYCLOPROPYL)METHYL]AMINO}METHYL)PIPERIDIN-2-ONE
1-[(2-FLUORO-5-METHOXYPHENYL)METHYL]-3-HYDROXY-3-[({[1-(PROPAN-2-YL)CYCLOPROPYL]METHYL}AMINO)METHYL]PIPERIDIN-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: 541.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 281.5±30.1 °C
Index of Refraction: 1.550
Molar Refractivity: 102.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): -0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.37
Polar Surface Area: 62 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 322.1±3.0 cm3

Click to predict properties on the Chemicalize site


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