ChemSpider 2D Image | tert-Butyl 4-((benzyloxy)methyl)-4-cyanopiperidine-1-carboxylate | C19H26N2O3

tert-Butyl 4-((benzyloxy)methyl)-4-cyanopiperidine-1-carboxylate

  • Molecular FormulaC19H26N2O3
  • Average mass330.421 Da
  • Monoisotopic mass330.194336 Da
  • ChemSpider ID28290222

More details:

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

1-Piperidinecarboxylic acid, 4-cyano-4-[(phenylmethoxy)methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[(benzyloxy)methyl]-4-cyano-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[(benzyloxy)methyl]-4-cyan-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-[(Benzyloxy)méthyl]-4-cyano-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
919284-64-3 [RN]
tert-Butyl 4-((benzyloxy)methyl)-4-cyanopiperidine-1-carboxylate
4-cyano-4-((phenylmethoxy)methyl)-1-piperidinecarboxylic acid tert-butyl ester
MFCD11877843
tert-butyl 4-(benzyloxymethyl)-4-cyanopiperidine-1-carboxylate
tert-butyl 4-[(benzyloxy)methyl]-4-cyanopiperidine-1-carboxylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 455.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.5±3.0 kJ/mol
Flash Point: 229.4±25.9 °C
Index of Refraction: 1.540
Molar Refractivity: 92.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 304.58
ACD/KOC (pH 5.5): 2086.60
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 304.58
ACD/KOC (pH 7.4): 2086.60
Polar Surface Area: 63 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 294.4±5.0 cm3

Click to predict properties on the Chemicalize site


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