ChemSpider 2D Image | (2S,3R)-1-Benzyl 3-tert-butyl 2-methylpiperidine-1,3-dicarboxylate | C19H27NO4

(2S,3R)-1-Benzyl 3-tert-butyl 2-methylpiperidine-1,3-dicarboxylate

  • Molecular FormulaC19H27NO4
  • Average mass333.422 Da
  • Monoisotopic mass333.194000 Da
  • ChemSpider ID28536613

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-1-Benzyl 3-tert-butyl 2-methylpiperidine-1,3-dicarboxylate
(2S,3R)-2-Méthyl-1,3-pipéridinedicarboxylate de 1-benzyle et de 3-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1,3-Piperidinedicarboxylic acid, 2-methyl-, 3-(1,1-dimethylethyl) 1-(phenylmethyl) ester, (2S,3R)- [ACD/Index Name]
1044563-67-8 [RN]
1-Benzyl 3-(2-methyl-2-propanyl) (2S,3R)-2-methyl-1,3-piperidinedicarboxylate [ACD/IUPAC Name]
1-Benzyl-3-(2-methyl-2-propanyl)-(2S,3R)-2-methyl-1,3-piperidindicarboxylat [German] [ACD/IUPAC Name]
(2S,3R)-1-Benzyl3-tert-butyl2-methylpiperidine-1,3-dicarboxylate
(2S,3R)-1-BENZYL-3-TERT-BUTYL-2-METHYLPIPERIDINE-1,3-DICARBOXYLATE
(2S,3R)-benzyl 3-(tert-butoxycarbonyl)-2-methylpiperidine-1-carboxylate
[1044563-67-8] [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 427.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.2±3.0 kJ/mol
Flash Point: 212.3±28.7 °C
Index of Refraction: 1.516
Molar Refractivity: 91.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 600.60
ACD/KOC (pH 5.5): 3392.44
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 600.60
ACD/KOC (pH 7.4): 3392.44
Polar Surface Area: 56 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 303.0±3.0 cm3

Click to predict properties on the Chemicalize site


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