ChemSpider 2D Image | N-[(3S,4R)-1-Benzyl-3-methyl-4-piperidinyl]-N-phenyl(3,3,3-~2~H_3_)propanamide | C22H25D3N2O

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

  • Molecular FormulaC22H25D3N2O
  • Average mass339.489 Da
  • Monoisotopic mass339.238983 Da
  • ChemSpider ID57546381

  • 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)-1-Benzyl-3-methyl-4-piperidinyl]-N-phenyl(3,3,3-2H3)propanamid [German] [ACD/IUPAC Name]
N-[(3S,4R)-1-Benzyl-3-methyl-4-piperidinyl]-N-phenyl(3,3,3-2H3)propanamide [ACD/IUPAC Name]
N-[(3S,4R)-1-Benzyl-3-méthyl-4-pipéridinyl]-N-phényl(3,3,3-2H3)propanamide [French] [ACD/IUPAC Name]
Propanamide-3,3,3-d3, N-[(3S,4R)-3-methyl-1-(phenylmethyl)-4-piperidinyl]-N-phenyl- [ACD/Index Name]
1246816-69-2 [RN]
N-[(3S,4R)-1-benzyl-3-methylpiperidin-4-yl]-3,3,3-trideuterio-N-phenylpropanamide
N-[(3S,4R)-1-Benzyl-3-methylpiperidin-4-yl]-N-phenyl(3,3,3-2H3)propanamide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 454.3±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.4±3.0 kJ/mol
Flash Point: 177.7±19.1 °C
Index of Refraction: 1.585
Molar Refractivity: 103.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 3.26
ACD/KOC (pH 5.5): 20.67
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 148.65
ACD/KOC (pH 7.4): 941.86
Polar Surface Area: 24 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 309.4±3.0 cm3

Click to predict properties on the Chemicalize site


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