ChemSpider 2D Image | N-Cyclohexyl-3-[(3S,4R)-4-(dimethylamino)-1-(2-naphthylmethyl)-3-piperidinyl]-N-methylpropanamide | C28H41N3O

N-Cyclohexyl-3-[(3S,4R)-4-(dimethylamino)-1-(2-naphthylmethyl)-3-piperidinyl]-N-methylpropanamide

  • Molecular FormulaC28H41N3O
  • Average mass435.645 Da
  • Monoisotopic mass435.324951 Da
  • ChemSpider ID23038152

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Piperidinepropanamide, N-cyclohexyl-4-(dimethylamino)-N-methyl-1-(2-naphthalenylmethyl)-, (3S,4R)- [ACD/Index Name]
N-Cyclohexyl-3-[(3S,4R)-4-(dimethylamino)-1-(2-naphthylmethyl)-3-piperidinyl]-N-methylpropanamid [German] [ACD/IUPAC Name]
N-Cyclohexyl-3-[(3S,4R)-4-(dimethylamino)-1-(2-naphthylmethyl)-3-piperidinyl]-N-methylpropanamide [ACD/IUPAC Name]
N-Cyclohexyl-3-[(3S,4R)-4-(diméthylamino)-1-(2-naphtylméthyl)-3-pipéridinyl]-N-méthylpropanamide [French] [ACD/IUPAC Name]
N-cyclohexyl-3-[(3S*,4R*)-4-(dimethylamino)-1-(2-naphthylmethyl)-3-piperidinyl]-N-methylpropanamide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 581.0±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 227.9±20.5 °C
Index of Refraction: 1.597
Molar Refractivity: 135.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 1.16
ACD/KOC (pH 5.5): 3.46
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 81.48
ACD/KOC (pH 7.4): 243.73
Polar Surface Area: 27 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 397.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement