ChemSpider 2D Image | 3-(3-Fluorophenyl)-1-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-morpholinyl)-1-piperidinyl]-1-propanone | C21H31FN2O3

3-(3-Fluorophenyl)-1-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-morpholinyl)-1-piperidinyl]-1-propanone

  • Molecular FormulaC21H31FN2O3
  • Average mass378.481 Da
  • Monoisotopic mass378.231873 Da
  • ChemSpider ID29523785

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Propanone, 3-(3-fluorophenyl)-1-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-morpholinyl)-1-piperidinyl]- [ACD/Index Name]
3-(3-Fluorophenyl)-1-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-morpholinyl)-1-piperidinyl]-1-propanone [ACD/IUPAC Name]
3-(3-Fluorophényl)-1-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-morpholinyl)-1-pipéridinyl]-1-propanone [French] [ACD/IUPAC Name]
3-(3-Fluorphenyl)-1-[(3R,4S)-3-(3-hydroxypropyl)-4-(4-morpholinyl)-1-piperidinyl]-1-propanon [German] [ACD/IUPAC Name]
3-{(3R*,4S*)-1-[3-(3-fluorophenyl)propanoyl]-4-morpholin-4-ylpiperidin-3-yl}propan-1-ol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 545.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 283.4±30.1 °C
Index of Refraction: 1.543
Molar Refractivity: 102.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 1.04
ACD/KOC (pH 5.5): 13.97
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 21.19
ACD/KOC (pH 7.4): 285.05
Polar Surface Area: 53 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 324.0±3.0 cm3

Click to predict properties on the Chemicalize site


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