Chemical Properties of [2-(4-hydroxypiperidin-1-yl)-2-oxoethyl] benzoate

[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl] benzoate

InChI
InChI=1S/C14H17NO4/c16-12-6-8-15(9-7-12)13(17)10-19-14(18)11-4-2-1-3-5-11/h1-5,12,16H,6-10H2
InChI Key
YVWZWRFAFZRJGU-UHFFFAOYSA-N
Formula
C14H17NO4
SMILES
O=C(OCC(=O)N1CCC(O)CC1)c1ccccc1
Molecular Weight1
263.29
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Physical Properties

Property Value Unit Source
ω 0.8001 Relay (1.0) Calculated Property
ΔvapH° 114.13 kJ/mol Relay (1.0) Calculated Property
IE 8.83 eV Relay (1.0) Calculated Property
log10WS -1.35 Aq. Solubility Prediction
logPoct/wat 0.827 Crippen Calculated Property
McVol 198.360 ml/mol McGowan Calculated Property
Pc 2167.42 kPa Relay (1.0-beta) Calculated Property
Tboil 643.17 K Relay (1.0) Calculated Property
Tc 895.75 K Relay (1.0) Calculated Property
Tfus 394.65 K Aq. Solubility Prediction

Cheméo can also estimate Critical Volume, 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-oxo-2-piperidin-1-ylethyl) benzoate. [2-(azepan-1-yl)-2-oxoethyl] benzoate. (2-oxo-2-pyrrolidin-1-ylethyl) benzoate. [2-(dibutylamino)-2-oxoethyl] benzoate. [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] benzoate. methyl 1-[2-(benzoyloxy)acetyl]pyrrolidine-2-carboxylate. [2-(bis(2-hydroxypropyl)amino)-2-oxoethyl] benzoate. R,S-4'-methyl-«alpha»-pyrrolidinohexanophenone-M (carboxy-HO-alkyl-), ethylated. [2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl] benzoate. Benzoic acid, 4-[1-hydroxy-2-(2-oxopyrrolidino)hexyl]-, ethyl ester. 1-Methyl-4-piperidyl cyclohexylphenylglycolate. R,S-4'-methyl-«alpha»-pyrrolidinohexanophenone-M (oxo-carboxy-HO-alkyl-), ethylated. 1-Methyl-4-piperidyl cyclopentylphenylglycolate. R,S-4'-methyl-«alpha»-pyrrolidinohexanophenone-M (carboxy-HO-alkyl-), 2TMS. Diphenyl-(3-hydroxy-2-tropanyl)-carbinol.

Find more compounds similar to [2-(4-hydroxypiperidin-1-yl)-2-oxoethyl] benzoate.

Sources

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