ChemSpider 2D Image | 1-[(1-Methyl-1H-pyrazol-4-yl)methyl]-4-{[4-(3-thienyl)-1H-1,2,3-triazol-1-yl]methyl}piperidine | C17H22N6S

1-[(1-Methyl-1H-pyrazol-4-yl)methyl]-4-{[4-(3-thienyl)-1H-1,2,3-triazol-1-yl]methyl}piperidine

  • Molecular FormulaC17H22N6S
  • Average mass342.462 Da
  • Monoisotopic mass342.162659 Da
  • ChemSpider ID22521005

More details:

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

1-[(1-Methyl-1H-pyrazol-4-yl)methyl]-4-{[4-(3-thienyl)-1H-1,2,3-triazol-1-yl]methyl}piperidin [German] [ACD/IUPAC Name]
1-[(1-Methyl-1H-pyrazol-4-yl)methyl]-4-{[4-(3-thienyl)-1H-1,2,3-triazol-1-yl]methyl}piperidine [ACD/IUPAC Name]
1-[(1-Méthyl-1H-pyrazol-4-yl)méthyl]-4-{[4-(3-thiényl)-1H-1,2,3-triazol-1-yl]méthyl}pipéridine [French] [ACD/IUPAC Name]
Piperidine, 1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-[[4-(3-thienyl)-1H-1,2,3-triazol-1-yl]methyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 506.1±58.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.6±3.0 kJ/mol
Flash Point: 259.9±32.3 °C
Index of Refraction: 1.717
Molar Refractivity: 99.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 2.68
ACD/KOC (pH 7.4): 41.50
Polar Surface Area: 80 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 57.6±7.0 dyne/cm
Molar Volume: 252.3±7.0 cm3

Click to predict properties on the Chemicalize site


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