ChemSpider 2D Image | 1-(2-Chlorobenzyl)-4-[4-methyl-5-(1-pyrrolidinylmethyl)-4H-1,2,4-triazol-3-yl]piperidine | C20H28ClN5

1-(2-Chlorobenzyl)-4-[4-methyl-5-(1-pyrrolidinylmethyl)-4H-1,2,4-triazol-3-yl]piperidine

  • Molecular FormulaC20H28ClN5
  • Average mass373.923 Da
  • Monoisotopic mass373.203339 Da
  • ChemSpider ID29549622

More details:

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

1-(2-Chlorbenzyl)-4-[4-methyl-5-(1-pyrrolidinylmethyl)-4H-1,2,4-triazol-3-yl]piperidin [German] [ACD/IUPAC Name]
1-(2-Chlorobenzyl)-4-[4-methyl-5-(1-pyrrolidinylmethyl)-4H-1,2,4-triazol-3-yl]piperidine [ACD/IUPAC Name]
1-(2-Chlorobenzyl)-4-[4-méthyl-5-(1-pyrrolidinylméthyl)-4H-1,2,4-triazol-3-yl]pipéridine [French] [ACD/IUPAC Name]
Piperidine, 1-[(2-chlorophenyl)methyl]-4-[4-methyl-5-(1-pyrrolidinylmethyl)-4H-1,2,4-triazol-3-yl]- [ACD/Index Name]
1-(2-chlorobenzyl)-4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 527.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 272.5±32.9 °C
Index of Refraction: 1.657
Molar Refractivity: 106.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): -0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 8.09
ACD/KOC (pH 7.4): 72.19
Polar Surface Area: 37 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 290.7±7.0 cm3

Click to predict properties on the Chemicalize site


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