ChemSpider 2D Image | {(2S,4R)-1-[(1R)-1-(6-Cyclopropyl-3-pyridinyl)-4-methylpentyl]-2-[4-(trifluoromethyl)phenyl]-4-piperidinyl}acetic acid | C28H35F3N2O2

{(2S,4R)-1-[(1R)-1-(6-Cyclopropyl-3-pyridinyl)-4-methylpentyl]-2-[4-(trifluoromethyl)phenyl]-4-piperidinyl}acetic acid

  • Molecular FormulaC28H35F3N2O2
  • Average mass488.585 Da
  • Monoisotopic mass488.265076 Da
  • ChemSpider ID25068119
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

{(2S,4R)-1-[(1R)-1-(6-Cyclopropyl-3-pyridinyl)-4-methylpentyl]-2-[4-(trifluormethyl)phenyl]-4-piperidinyl}essigsäure [German] [ACD/IUPAC Name]
{(2S,4R)-1-[(1R)-1-(6-Cyclopropyl-3-pyridinyl)-4-methylpentyl]-2-[4-(trifluoromethyl)phenyl]-4-piperidinyl}acetic acid [ACD/IUPAC Name]
4-Piperidineacetic acid, 1-[(1R)-1-(6-cyclopropyl-3-pyridinyl)-4-methylpentyl]-2-[4-(trifluoromethyl)phenyl]-, (2S,4R)- [ACD/Index Name]
Acide {(2S,4R)-1-[(1R)-1-(6-cyclopropyl-3-pyridinyl)-4-méthylpentyl]-2-[4-(trifluorométhyl)phényl]-4-pipéridinyl}acétique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 589.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 310.5±30.1 °C
Index of Refraction: 1.543
Molar Refractivity: 129.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.92
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 49.64
ACD/KOC (pH 5.5): 124.42
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 28.78
ACD/KOC (pH 7.4): 72.13
Polar Surface Area: 53 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 410.6±3.0 cm3

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