ChemSpider 2D Image | (3-Methyl-2-thienyl)[1-(3-phenyl-2-propyn-1-yl)-3-piperidinyl]methanone | C20H21NOS

(3-Methyl-2-thienyl)[1-(3-phenyl-2-propyn-1-yl)-3-piperidinyl]methanone

  • Molecular FormulaC20H21NOS
  • Average mass323.452 Da
  • Monoisotopic mass323.134369 Da
  • ChemSpider ID22177060

More details:

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

(3-Methyl-2-thienyl)[1-(3-phenyl-2-propin-1-yl)-3-piperidinyl]methanon [German] [ACD/IUPAC Name]
(3-Methyl-2-thienyl)[1-(3-phenyl-2-propyn-1-yl)-3-piperidinyl]methanone [ACD/IUPAC Name]
(3-Méthyl-2-thiényl)[1-(3-phényl-2-propyn-1-yl)-3-pipéridinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, (3-methyl-2-thienyl)[1-(3-phenyl-2-propyn-1-yl)-3-piperidinyl]- [ACD/Index Name]
3-(3-METHYLTHIOPHENE-2-CARBONYL)-1-(3-PHENYLPROP-2-YN-1-YL)PIPERIDINE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 482.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.7±3.0 kJ/mol
Flash Point: 245.5±28.7 °C
Index of Refraction: 1.623
Molar Refractivity: 95.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 157.69
ACD/KOC (pH 5.5): 640.40
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1679.26
ACD/KOC (pH 7.4): 6819.91
Polar Surface Area: 49 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 271.9±5.0 cm3

Click to predict properties on the Chemicalize site


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