ChemSpider 2D Image | (3R,4R)-1-(2-Chloro-4-ethoxy-5-methoxybenzyl)-4-cyclobutyl-3-methyl-4-piperidinol | C20H30ClNO3

(3R,4R)-1-(2-Chloro-4-ethoxy-5-methoxybenzyl)-4-cyclobutyl-3-methyl-4-piperidinol

  • Molecular FormulaC20H30ClNO3
  • Average mass367.910 Da
  • Monoisotopic mass367.191437 Da
  • ChemSpider ID29691817

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-1-(2-Chlor-4-ethoxy-5-methoxybenzyl)-4-cyclobutyl-3-methyl-4-piperidinol [German] [ACD/IUPAC Name]
(3R,4R)-1-(2-Chloro-4-ethoxy-5-methoxybenzyl)-4-cyclobutyl-3-methyl-4-piperidinol [ACD/IUPAC Name]
(3R,4R)-1-(2-Chloro-4-éthoxy-5-méthoxybenzyl)-4-cyclobutyl-3-méthyl-4-pipéridinol [French] [ACD/IUPAC Name]
4-Piperidinol, 1-[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl]-4-cyclobutyl-3-methyl-, (3R,4R)- [ACD/Index Name]
(3R*,4R*)-1-(2-chloro-4-ethoxy-5-methoxybenzyl)-4-cyclobutyl-3-methylpiperidin-4-ol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 478.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.2±3.0 kJ/mol
Flash Point: 243.3±27.3 °C
Index of Refraction: 1.563
Molar Refractivity: 101.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 3.37
ACD/KOC (pH 5.5): 17.73
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 171.48
ACD/KOC (pH 7.4): 902.84
Polar Surface Area: 42 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 312.3±3.0 cm3

Click to predict properties on the Chemicalize site


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