ChemSpider 2D Image | (3-Fluoro-4-methylphenyl)[(3R,5R)-3-(hydroxymethyl)-5-{[(2-methoxyethyl)(methyl)amino]methyl}-1-piperidinyl]methanone | C19H29FN2O3

(3-Fluoro-4-methylphenyl)[(3R,5R)-3-(hydroxymethyl)-5-{[(2-methoxyethyl)(methyl)amino]methyl}-1-piperidinyl]methanone

  • Molecular FormulaC19H29FN2O3
  • Average mass352.444 Da
  • Monoisotopic mass352.216217 Da
  • ChemSpider ID29701814

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3-Fluor-4-methylphenyl)[(3R,5R)-3-(hydroxymethyl)-5-{[(2-methoxyethyl)(methyl)amino]methyl}-1-piperidinyl]methanon [German] [ACD/IUPAC Name]
(3-Fluoro-4-methylphenyl)[(3R,5R)-3-(hydroxymethyl)-5-{[(2-methoxyethyl)(methyl)amino]methyl}-1-piperidinyl]methanone [ACD/IUPAC Name]
(3-Fluoro-4-méthylphényl)[(3R,5R)-3-(hydroxyméthyl)-5-{[(2-méthoxyéthyl)(méthyl)amino]méthyl}-1-pipéridinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, (3-fluoro-4-methylphenyl)[(3R,5R)-3-(hydroxymethyl)-5-[[(2-methoxyethyl)methylamino]methyl]-1-piperidinyl]- [ACD/Index Name]
((3R*,5R*)-1-(3-fluoro-4-methylbenzoyl)-5-{[(2-methoxyethyl)(methyl)amino]methyl}-3-piperidinyl)methanol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 495.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 253.5±27.3 °C
Index of Refraction: 1.523
Molar Refractivity: 96.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.32
ACD/LogD (pH 5.5): -1.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.34
Polar Surface Area: 53 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 314.3±3.0 cm3

Click to predict properties on the Chemicalize site


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