Chemical Properties of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] benzoate

[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] benzoate

InChI
InChI=1S/C16H21NO3/c1-2-14-10-6-7-11-17(14)15(18)12-20-16(19)13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3
InChI Key
WXHDYGRKHGIEOF-UHFFFAOYSA-N
Formula
C16H21NO3
SMILES
CCC1CCCCN1C(=O)COC(=O)c1ccccc1
Molecular Weight1
275.35
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 0.6821 Relay (1.0) Calculated Property
ΔvapH° 97.30 kJ/mol Relay (1.0) Calculated Property
IE 8.45 eV Relay (1.0) Calculated Property
log10WS -2.72 Aq. Solubility Prediction
logPoct/wat 2.635 Crippen Calculated Property
McVol 220.670 ml/mol McGowan Calculated Property
Pc 1773.41 kPa Relay (1.0-beta) Calculated Property
Tboil 629.17 K Relay (1.0) Calculated Property
Tc 866.37 K Relay (1.0) Calculated Property
Tfus 327.65 K Aq. Solubility Prediction
Vc 0.784 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation 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.

Similar Compounds

[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] benzoate. [2-(azepan-1-yl)-2-oxoethyl] benzoate. (2-oxo-2-piperidin-1-ylethyl) benzoate. [2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl] benzoate. methyl 1-[2-(benzoyloxy)acetyl]pyrrolidine-2-carboxylate. [2-(dibutylamino)-2-oxoethyl] benzoate. (2-oxo-2-pyrrolidin-1-ylethyl) benzoate. [2-(cyclohexylamino)-2-oxoethyl] benzoate. Piperocaine. 4'-Ethoxycarbonyl-«alpha»-(2-oxopyrrolidino)hexanophene. 13«alpha»-Benzoyloxylupanine. [2-(4-hydroxypiperidin-1-yl)-2-oxoethyl] benzoate. 13-Benzoyloxy-17-oxolupanine. Benzoic acid, 4-[1-hydroxy-2-(2-oxopyrrolidino)hexyl]-, ethyl ester. «alpha»-Methylfentanyl.

Find more compounds similar to [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] benzoate.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.