ChemSpider 2D Image | Methyl 3-[1-benzyl-4-(4-methyl-1-piperazinyl)-3-piperidinyl]propanoate | C21H33N3O2

Methyl 3-[1-benzyl-4-(4-methyl-1-piperazinyl)-3-piperidinyl]propanoate

  • Molecular FormulaC21H33N3O2
  • Average mass359.506 Da
  • Monoisotopic mass359.257263 Da
  • ChemSpider ID26457298

More details:

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

1134331-47-7 [RN]
3-[1-Benzyl-4-(4-méthyl-1-pipérazinyl)-3-pipéridinyl]propanoate de méthyle [French] [ACD/IUPAC Name]
3-Piperidinepropanoic acid, 4-(4-methyl-1-piperazinyl)-1-(phenylmethyl)-, methyl ester [ACD/Index Name]
Methyl 3-[1-benzyl-4-(4-methyl-1-piperazinyl)-3-piperidinyl]propanoate [ACD/IUPAC Name]
methyl 3-[1-benzyl-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propanoate
Methyl-3-[1-benzyl-4-(4-methyl-1-piperazinyl)-3-piperidinyl]propanoat [German] [ACD/IUPAC Name]
Methyl 3-(1-benzyl-4-(4-methylpiperazin-1-yl)piperidin-3-yl)propanoate
methyl 3-[1-benzyl-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propanoate oxalate
MFCD12031065
MFCD16039371 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 451.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.0±3.0 kJ/mol
Flash Point: 226.7±28.7 °C
Index of Refraction: 1.542
Molar Refractivity: 104.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): -2.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.91
Polar Surface Area: 36 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 332.1±3.0 cm3

Click to predict properties on the Chemicalize site


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