ChemSpider 2D Image | 1-[1-(2-Thienylmethyl)-3-piperidinyl]-4-[3-(trifluoromethyl)phenyl]piperazine | C21H26F3N3S

1-[1-(2-Thienylmethyl)-3-piperidinyl]-4-[3-(trifluoromethyl)phenyl]piperazine

  • Molecular FormulaC21H26F3N3S
  • Average mass409.511 Da
  • Monoisotopic mass409.179962 Da
  • ChemSpider ID22161803

More details:

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

1-[1-(2-Thienylmethyl)-3-piperidinyl]-4-[3-(trifluormethyl)phenyl]piperazin [German] [ACD/IUPAC Name]
1-[1-(2-Thienylmethyl)-3-piperidinyl]-4-[3-(trifluoromethyl)phenyl]piperazine [ACD/IUPAC Name]
1-[1-(2-Thiénylméthyl)-3-pipéridinyl]-4-[3-(trifluorométhyl)phényl]pipérazine [French] [ACD/IUPAC Name]
Piperazine, 1-[1-(2-thienylmethyl)-3-piperidinyl]-4-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
1-[1-(THIOPHEN-2-YLMETHYL)PIPERIDIN-3-YL]-4-[3-(TRIFLUOROMETHYL)PHENYL]PIPERAZINE
1-{1-[(THIOPHEN-2-YL)METHYL]PIPERIDIN-3-YL}-4-[3-(TRIFLUOROMETHYL)PHENYL]PIPERAZINE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 484.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 246.8±28.7 °C
Index of Refraction: 1.573
Molar Refractivity: 107.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.02
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 12.52
ACD/KOC (pH 7.4): 60.35
Polar Surface Area: 38 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 325.2±3.0 cm3

Click to predict properties on the Chemicalize site


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