ChemSpider 2D Image | (5-Chloro-2-thienyl){3-[4-(2-methylphenyl)-1-piperazinyl]-1-piperidinyl}methanone | C21H26ClN3OS

(5-Chloro-2-thienyl){3-[4-(2-methylphenyl)-1-piperazinyl]-1-piperidinyl}methanone

  • Molecular FormulaC21H26ClN3OS
  • Average mass403.969 Da
  • Monoisotopic mass403.148499 Da
  • ChemSpider ID22179657

More details:

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

(5-Chlor-2-thienyl){3-[4-(2-methylphenyl)-1-piperazinyl]-1-piperidinyl}methanon [German] [ACD/IUPAC Name]
(5-Chloro-2-thienyl){3-[4-(2-methylphenyl)-1-piperazinyl]-1-piperidinyl}methanone [ACD/IUPAC Name]
(5-Chloro-2-thiényl){3-[4-(2-méthylphényl)-1-pipérazinyl]-1-pipéridinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, (5-chloro-2-thienyl)[3-[4-(2-methylphenyl)-1-piperazinyl]-1-piperidinyl]- [ACD/Index Name]
1-[1-(5-CHLOROTHIOPHENE-2-CARBONYL)PIPERIDIN-3-YL]-4-(2-METHYLPHENYL)PIPERAZINE
1-{1-[(5-chloro-2-thienyl)carbonyl]-3-piperidinyl}-4-(2-methylphenyl)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: 560.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 292.8±30.1 °C
Index of Refraction: 1.624
Molar Refractivity: 112.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 17.18
ACD/KOC (pH 5.5): 99.04
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 404.75
ACD/KOC (pH 7.4): 2332.72
Polar Surface Area: 55 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 318.6±3.0 cm3

Click to predict properties on the Chemicalize site


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