ChemSpider 2D Image | 1-[1-(3-Pyridinylmethyl)-4-piperidinyl]-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine | C21H26F3N5

1-[1-(3-Pyridinylmethyl)-4-piperidinyl]-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine

  • Molecular FormulaC21H26F3N5
  • Average mass405.460 Da
  • Monoisotopic mass405.214020 Da
  • ChemSpider ID35003635

More details:

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

1-[1-(3-Pyridinylmethyl)-4-piperidinyl]-4-[6-(trifluormethyl)-2-pyridinyl]piperazin [German] [ACD/IUPAC Name]
1-[1-(3-Pyridinylmethyl)-4-piperidinyl]-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine [ACD/IUPAC Name]
1-[1-(3-Pyridinylméthyl)-4-pipéridinyl]-4-[6-(trifluorométhyl)-2-pyridinyl]pipérazine [French] [ACD/IUPAC Name]
Piperazine, 1-[1-(3-pyridinylmethyl)-4-piperidinyl]-4-[6-(trifluoromethyl)-2-pyridinyl]- [ACD/Index Name]
1-(1-(pyridin-3-ylmethyl)piperidin-4-yl)-4-(6-(trifluoromethyl)pyridin-2-yl)piperazine
1-{1-[(pyridin-3-yl)methyl]piperidin-4-yl}-4-[6-(trifluoromethyl)pyridin-2-yl]piperazine
2034494-86-3 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 503.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.3±3.0 kJ/mol
Flash Point: 258.3±30.1 °C
Index of Refraction: 1.565
Molar Refractivity: 105.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.91
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 39.52
ACD/KOC (pH 7.4): 374.10
Polar Surface Area: 36 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 322.2±3.0 cm3

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