ChemSpider 2D Image | [(2S,4R,5R)-5-(4-Chlorophenyl)-1-ethyl-4-{[(1-isopropyl-4-piperidinyl)amino]methyl}-2-methyl-2-pyrrolidinyl]methanol | C23H38ClN3O

[(2S,4R,5R)-5-(4-Chlorophenyl)-1-ethyl-4-{[(1-isopropyl-4-piperidinyl)amino]methyl}-2-methyl-2-pyrrolidinyl]methanol

  • Molecular FormulaC23H38ClN3O
  • Average mass408.020 Da
  • Monoisotopic mass407.270355 Da
  • ChemSpider ID23036592

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(2S,4R,5R)-5-(4-Chlorophenyl)-1-ethyl-4-{[(1-isopropyl-4-piperidinyl)amino]methyl}-2-methyl-2-pyrrolidinyl]methanol [ACD/IUPAC Name]
[(2S,4R,5R)-5-(4-Chlorophényl)-1-éthyl-4-{[(1-isopropyl-4-pipéridinyl)amino]méthyl}-2-méthyl-2-pyrrolidinyl]méthanol [French] [ACD/IUPAC Name]
[(2S,4R,5R)-5-(4-Chlorphenyl)-1-ethyl-4-{[(1-isopropyl-4-piperidinyl)amino]methyl}-2-methyl-2-pyrrolidinyl]methanol [German] [ACD/IUPAC Name]
2-Pyrrolidinemethanol, 5-(4-chlorophenyl)-1-ethyl-2-methyl-4-[[[1-(1-methylethyl)-4-piperidinyl]amino]methyl]-, (2S,4R,5R)- [ACD/Index Name]
((2S*,4R*,5R*)-5-(4-chlorophenyl)-1-ethyl-4-{[(1-isopropyl-4-piperidinyl)amino]methyl}-2-methyl-2-pyrrolidinyl)methanol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 501.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 257.0±30.1 °C
Index of Refraction: 1.572
Molar Refractivity: 119.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.43
ACD/LogD (pH 5.5): -1.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 39 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 361.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement