ChemSpider 2D Image | (3R,4R)-4-(2-Methoxyethyl)-3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]-4-piperidinol | C15H21F3N2O2

(3R,4R)-4-(2-Methoxyethyl)-3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]-4-piperidinol

  • Molecular FormulaC15H21F3N2O2
  • Average mass318.335 Da
  • Monoisotopic mass318.155518 Da
  • ChemSpider ID29549858

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-4-(2-Methoxyethyl)-3-methyl-1-[6-(trifluormethyl)-2-pyridinyl]-4-piperidinol [German] [ACD/IUPAC Name]
(3R,4R)-4-(2-Methoxyethyl)-3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]-4-piperidinol [ACD/IUPAC Name]
(3R,4R)-4-(2-Méthoxyéthyl)-3-méthyl-1-[6-(trifluorométhyl)-2-pyridinyl]-4-pipéridinol [French] [ACD/IUPAC Name]
4-Piperidinol, 4-(2-methoxyethyl)-3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]-, (3R,4R)- [ACD/Index Name]
(3R*,4R*)-4-(2-methoxyethyl)-3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]-4-piperidinol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 391.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.6±3.0 kJ/mol
Flash Point: 190.3±27.9 °C
Index of Refraction: 1.487
Molar Refractivity: 76.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 69.49
ACD/KOC (pH 5.5): 719.52
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 71.19
ACD/KOC (pH 7.4): 737.13
Polar Surface Area: 46 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 264.3±3.0 cm3

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