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
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Physical Properties

Property Value Unit Source
ω 0.6821 Relay (1.0) Calculated Property
ΔfG° -86.82 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -483.91 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 96.16 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 1787.55 kPa Relay (1.0-beta) Calculated Property
Tboil 629.17 K Relay (1.0) Calculated Property
Tc 864.13 K Relay (1.0) Calculated Property
Tfus 327.65 K Aq. Solubility Prediction
Vc 0.782 m3/kmol Relay (1.0) Calculated Property

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

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