ChemSpider 2D Image | N-[(3S,4R)-3-Methyl-1-(2-phenylethyl)-4-piperidinyl]-N-phenyl(3,3,3-~2~H_3_)propanamide | C23H27D3N2O

N-[(3S,4R)-3-Methyl-1-(2-phenylethyl)-4-piperidinyl]-N-phenyl(3,3,3-2H3)propanamide

  • Molecular FormulaC23H27D3N2O
  • Average mass353.516 Da
  • Monoisotopic mass353.254639 Da
  • ChemSpider ID78362006

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

N-[(3S,4R)-3-Methyl-1-(2-phenylethyl)-4-piperidinyl]-N-phenyl(3,3,3-2H3)propanamid [German] [ACD/IUPAC Name]
N-[(3S,4R)-3-Methyl-1-(2-phenylethyl)-4-piperidinyl]-N-phenyl(3,3,3-2H3)propanamide [ACD/IUPAC Name]
N-[(3S,4R)-3-Méthyl-1-(2-phényléthyl)-4-pipéridinyl]-N-phényl(3,3,3-2H3)propanamide [French] [ACD/IUPAC Name]
Propanamide-3,3,3-d3, N-[(3S,4R)-3-methyl-1-(2-phenylethyl)-4-piperidinyl]-N-phenyl- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 472.8±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 184.5±19.1 °C
Index of Refraction: 1.572
Molar Refractivity: 108.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 1.24
ACD/KOC (pH 5.5): 6.44
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 45.40
ACD/KOC (pH 7.4): 235.06
Polar Surface Area: 24 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 329.4±3.0 cm3

Click to predict properties on the Chemicalize site


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