ChemSpider 2D Image | 3-[(3R,4S)-4-(Dimethylamino)-1-(5-isopropyl-4-methoxy-2-methylbenzyl)-3-piperidinyl]-1-propanol | C22H38N2O2

3-[(3R,4S)-4-(Dimethylamino)-1-(5-isopropyl-4-methoxy-2-methylbenzyl)-3-piperidinyl]-1-propanol

  • Molecular FormulaC22H38N2O2
  • Average mass362.549 Da
  • Monoisotopic mass362.293335 Da
  • ChemSpider ID29512425

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-[(3R,4S)-4-(Dimethylamino)-1-(5-isopropyl-4-methoxy-2-methylbenzyl)-3-piperidinyl]-1-propanol [German] [ACD/IUPAC Name]
3-[(3R,4S)-4-(Dimethylamino)-1-(5-isopropyl-4-methoxy-2-methylbenzyl)-3-piperidinyl]-1-propanol [ACD/IUPAC Name]
3-[(3R,4S)-4-(Diméthylamino)-1-(5-isopropyl-4-méthoxy-2-méthylbenzyl)-3-pipéridinyl]-1-propanol [French] [ACD/IUPAC Name]
3-Piperidinepropanol, 4-(dimethylamino)-1-[[4-methoxy-2-methyl-5-(1-methylethyl)phenyl]methyl]-, (3R,4S)- [ACD/Index Name]
3-[(3R*,4S*)-4-(dimethylamino)-1-(5-isopropyl-4-methoxy-2-methylbenzyl)piperidin-3-yl]propan-1-ol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 477.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 242.7±28.7 °C
Index of Refraction: 1.540
Molar Refractivity: 109.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): -0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 4.13
ACD/KOC (pH 7.4): 26.45
Polar Surface Area: 36 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 42.7±5.0 dyne/cm
Molar Volume: 349.7±5.0 cm3

Click to predict properties on the Chemicalize site


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