ChemSpider 2D Image | 2-[(4-Fluorobenzyl)(methyl)amino]-1-[(3R,4R)-4-hydroxy-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-1-piperidinyl]ethanone | C21H31FN2O3

2-[(4-Fluorobenzyl)(methyl)amino]-1-[(3R,4R)-4-hydroxy-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-1-piperidinyl]ethanone

  • Molecular FormulaC21H31FN2O3
  • Average mass378.481 Da
  • Monoisotopic mass378.231873 Da
  • ChemSpider ID29438446

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-[(4-Fluorbenzyl)(methyl)amino]-1-[(3R,4R)-4-hydroxy-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-1-piperidinyl]ethanon [German] [ACD/IUPAC Name]
2-[(4-Fluorobenzyl)(methyl)amino]-1-[(3R,4R)-4-hydroxy-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-1-piperidinyl]ethanone [ACD/IUPAC Name]
2-[(4-Fluorobenzyl)(méthyl)amino]-1-[(3R,4R)-4-hydroxy-3-méthyl-4-(tétrahydro-2H-pyran-4-yl)-1-pipéridinyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[[(4-fluorophenyl)methyl]methylamino]-1-[(3R,4R)-4-hydroxy-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-1-piperidinyl]- [ACD/Index Name]
(3R*,4R*)-1-[N-(4-fluorobenzyl)-N-methylglycyl]-3-methyl-4-(tetrahydro-2H-pyran-4-yl)piperidin-4-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: 518.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 267.4±30.1 °C
Index of Refraction: 1.551
Molar Refractivity: 102.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.27
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 1.58
ACD/KOC (pH 5.5): 18.64
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 33.08
ACD/KOC (pH 7.4): 390.96
Polar Surface Area: 53 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 320.5±3.0 cm3

Click to predict properties on the Chemicalize site


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