ChemSpider 2D Image | {3-[4-(2-Methylphenyl)-1-piperazinyl]-1-piperidinyl}(1-methyl-1H-pyrazol-5-yl)methanone | C21H29N5O

{3-[4-(2-Methylphenyl)-1-piperazinyl]-1-piperidinyl}(1-methyl-1H-pyrazol-5-yl)methanone

  • Molecular FormulaC21H29N5O
  • Average mass367.488 Da
  • Monoisotopic mass367.237213 Da
  • ChemSpider ID22250917

More details:

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

{3-[4-(2-Methylphenyl)-1-piperazinyl]-1-piperidinyl}(1-methyl-1H-pyrazol-5-yl)methanon [German] [ACD/IUPAC Name]
{3-[4-(2-Methylphenyl)-1-piperazinyl]-1-piperidinyl}(1-methyl-1H-pyrazol-5-yl)methanone [ACD/IUPAC Name]
{3-[4-(2-Méthylphényl)-1-pipérazinyl]-1-pipéridinyl}(1-méthyl-1H-pyrazol-5-yl)méthanone [French] [ACD/IUPAC Name]
Methanone, [3-[4-(2-methylphenyl)-1-piperazinyl]-1-piperidinyl](1-methyl-1H-pyrazol-5-yl)- [ACD/Index Name]
1-(2-METHYLPHENYL)-4-[1-(2-METHYLPYRAZOLE-3-CARBONYL)PIPERIDIN-3-YL]PIPERAZINE
1-(2-methylphenyl)-4-{1-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-3-piperidinyl}piperazine
1-[1-(1-METHYL-1H-PYRAZOLE-5-CARBONYL)PIPERIDIN-3-YL]-4-(2-METHYLPHENYL)PIPERAZINE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 552.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 287.8±30.1 °C
Index of Refraction: 1.643
Molar Refractivity: 108.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.61
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.71
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 12.07
ACD/KOC (pH 7.4): 185.10
Polar Surface Area: 45 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 48.9±7.0 dyne/cm
Molar Volume: 299.9±7.0 cm3

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