Chemical Properties of 1-Methylpiperidine-3-carboxylic acid ethyl ester (CAS 5166-67-6)

InChI

InChI=1S/C9H17NO2/c1-3-12-9(11)8-5-4-6-10(2)7-8/h8H,3-7H2,1-2H3

InChI Key

VFJJNMLPRDRTCO-UHFFFAOYSA-N

Formula

C9H17NO2

SMILES

CCOC(=O)C1CCCN(C)C1

Molecular Weight¹

171.24

CAS

5166-67-6

Other Names

• Ethyl 1-methyl-3-piperidinecarboxylate
• 3-Piperidinecarboxylic acid, 1-methyl-, ethyl ester
• Ethyl 1-methylnipecotate
• ethyl 1-methylpiperidine-3-carboxylate

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 1-Methylpiperidine-3-carboxylic acid ethyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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