ChemSpider 2D Image | Benzyl 4-{[(3,4-dimethoxyphenyl)amino]methyl}-4-hydroxy-1-piperidinecarboxylate | C22H28N2O5

Benzyl 4-{[(3,4-dimethoxyphenyl)amino]methyl}-4-hydroxy-1-piperidinecarboxylate

  • Molecular FormulaC22H28N2O5
  • Average mass400.468 Da
  • Monoisotopic mass400.199829 Da
  • ChemSpider ID29312841

More details:

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

1353877-97-0 [RN]
1-Piperidinecarboxylic acid, 4-[[(3,4-dimethoxyphenyl)amino]methyl]-4-hydroxy-, phenylmethyl ester [ACD/Index Name]
4-{[(3,4-Diméthoxyphényl)amino]méthyl}-4-hydroxy-1-pipéridinecarboxylate de benzyle [French] [ACD/IUPAC Name]
Benzyl 4-{[(3,4-dimethoxyphenyl)amino]methyl}-4-hydroxy-1-piperidinecarboxylate [ACD/IUPAC Name]
Benzyl-4-{[(3,4-dimethoxyphenyl)amino]methyl}-4-hydroxy-1-piperidincarboxylat [German] [ACD/IUPAC Name]
benzyl 4-(((3,4-dimethoxyphenyl)amino)methyl)-4-hydroxypiperidine-1-carboxylate
benzyl 4-[(3,4-dimethoxyanilino)methyl]-4-hydroxypiperidine-1-carboxylate
Benzyl 4-{[(3,4-dimethoxyphenyl)amino]methyl}-4-hydroxypiperidine-1-carboxylate
benzyldimethoxyphenylaminomethylhydroxypiperidinecarboxylate
LF-0061
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 579.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 304.0±30.1 °C
Index of Refraction: 1.599
Molar Refractivity: 110.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.03
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 60.57
ACD/KOC (pH 5.5): 619.92
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 73.95
ACD/KOC (pH 7.4): 756.94
Polar Surface Area: 80 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 324.2±3.0 cm3

Click to predict properties on the Chemicalize site


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