ChemSpider 2D Image | N-[(3R,4S)-1-Benzyl-3-methyl-4-piperidinyl]-N-phenylpropanamide | C22H28N2O

N-[(3R,4S)-1-Benzyl-3-methyl-4-piperidinyl]-N-phenylpropanamide

  • Molecular FormulaC22H28N2O
  • Average mass336.470 Da
  • Monoisotopic mass336.220154 Da
  • ChemSpider ID29787974

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

N-[(3R,4S)-1-Benzyl-3-methyl-4-piperidinyl]-N-phenylpropanamid [German] [ACD/IUPAC Name]
N-[(3R,4S)-1-Benzyl-3-methyl-4-piperidinyl]-N-phenylpropanamide [ACD/IUPAC Name]
N-[(3R,4S)-1-Benzyl-3-méthyl-4-pipéridinyl]-N-phénylpropanamide [French] [ACD/IUPAC Name]
Propanamide, N-[(3R,4S)-3-methyl-1-(phenylmethyl)-4-piperidinyl]-N-phenyl- [ACD/Index Name]
(±)-cis-N-[2-Methyl-1-(phenylmethyl)-4-piperidinyl]-N-phenyl-propanamide
79278-40-3 [RN]
rac-cis-1-benzyl-2-methyl-4-(N-propananilido)piperidine

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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