ChemSpider 2D Image | 1-{1-[(5-Methyl-2-furyl)methyl]-4-piperidinyl}-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine | C21H27F3N4O

1-{1-[(5-Methyl-2-furyl)methyl]-4-piperidinyl}-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine

  • Molecular FormulaC21H27F3N4O
  • Average mass408.461 Da
  • Monoisotopic mass408.213684 Da
  • ChemSpider ID35003609

More details:

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

1-{1-[(5-Methyl-2-furyl)methyl]-4-piperidinyl}-4-[5-(trifluormethyl)-2-pyridinyl]piperazin [German] [ACD/IUPAC Name]
1-{1-[(5-Methyl-2-furyl)methyl]-4-piperidinyl}-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine [ACD/IUPAC Name]
1-{1-[(5-Méthyl-2-furyl)méthyl]-4-pipéridinyl}-4-[5-(trifluorométhyl)-2-pyridinyl]pipérazine [French] [ACD/IUPAC Name]
Piperazine, 1-[1-[(5-methyl-2-furanyl)methyl]-4-piperidinyl]-4-[5-(trifluoromethyl)-2-pyridinyl]- [ACD/Index Name]
1-(1-((5-methylfuran-2-yl)methyl)piperidin-4-yl)-4-(5-(trifluoromethyl)pyridin-2-yl)piperazine
1-{1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl}-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine
2034524-98-4 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 485.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.1±3.0 kJ/mol
Flash Point: 247.5±28.7 °C
Index of Refraction: 1.547
Molar Refractivity: 104.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.19
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 36.93
ACD/KOC (pH 7.4): 243.72
Polar Surface Area: 36 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 328.0±3.0 cm3

Click to predict properties on the Chemicalize site


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