ChemSpider 2D Image | 1-Benzyl 3-methyl 3-isopropyl-1,3-piperidinedicarboxylate | C18H25NO4

1-Benzyl 3-methyl 3-isopropyl-1,3-piperidinedicarboxylate

  • Molecular FormulaC18H25NO4
  • Average mass319.395 Da
  • Monoisotopic mass319.178345 Da
  • ChemSpider ID28553260

More details:






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

1,3-Piperidinedicarboxylic acid, 3-(1-methylethyl)-, 3-methyl 1-(phenylmethyl) ester [ACD/Index Name]
1-Benzyl 3-methyl 3-isopropyl-1,3-piperidinedicarboxylate [ACD/IUPAC Name]
1-Benzyl-3-methyl-3-isopropyl-1,3-piperidindicarboxylat [German] [ACD/IUPAC Name]
3-Isopropyl-1,3-pipéridinedicarboxylate de 1-benzyle et de 3-méthyle [French] [ACD/IUPAC Name]
[1363166-34-0]
118-48-9 [RN]
1363166-34-0 [RN]
METHYL 1-CBZ-3-ISOPROPYLPIPERIDINE-3-CARBOXYLATE
Methyl1-Cbz-3-isopropylpiperidine-3-carboxylate
MFCD21641319 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 414.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.7±3.0 kJ/mol
Flash Point: 204.5±28.7 °C
Index of Refraction: 1.523
Molar Refractivity: 86.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 264.97
ACD/KOC (pH 5.5): 1888.58
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 264.97
ACD/KOC (pH 7.4): 1888.58
Polar Surface Area: 56 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 284.0±3.0 cm3

Click to predict properties on the Chemicalize site






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