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
ΔfG° -215.68 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -576.54 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 113.12 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 2135.05 kPa Relay (1.0-beta) Calculated Property
Tboil 643.17 K Relay (1.0) Calculated Property
Tc 894.32 K Relay (1.0) Calculated Property
Tfus 394.65 K Aq. Solubility Prediction
Vc 0.719 m3/kmol Relay (1.0) Calculated Property

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. Mandelic acid, «alpha»-cyclopentyl-, 1-methyl-4-piperidyl ester. 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.

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