Chemical Properties of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] benzoate

[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] benzoate

InChI
InChI=1S/C16H21NO3/c1-12-7-6-8-13(2)17(12)15(18)11-20-16(19)14-9-4-3-5-10-14/h3-5,9-10,12-13H,6-8,11H2,1-2H3
InChI Key
WJUSVIUZCYELMK-UHFFFAOYSA-N
Formula
C16H21NO3
SMILES
CC1CCCC(C)N1C(=O)COC(=O)c1ccccc1
Molecular Weight1
275.35
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Physical Properties

Property Value Unit Source
ω 0.6452 Relay (1.0) Calculated Property
ΔfG° -89.83 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -505.54 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 95.06 kJ/mol Relay (1.0) Calculated Property
IE 8.18 eV Relay (1.0) Calculated Property
log10WS -0.82 Aq. Solubility Prediction
logPoct/wat 2.633 Crippen Calculated Property
McVol 220.670 ml/mol McGowan Calculated Property
Pc 1823.48 kPa Relay (1.0-beta) Calculated Property
Tboil 616.99 K Relay (1.0) Calculated Property
Tc 863.40 K Relay (1.0) Calculated Property
Tfus 368.40 K Relay (1.0) Calculated Property
Vc 0.781 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] benzoate. [2-(azepan-1-yl)-2-oxoethyl] benzoate. (2-oxo-2-piperidin-1-ylethyl) benzoate. [2-(cyclohexylamino)-2-oxoethyl] benzoate. methyl 1-[2-(benzoyloxy)acetyl]pyrrolidine-2-carboxylate. [2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl] benzoate. [2-(dibutylamino)-2-oxoethyl] benzoate. Piperocaine. (2-oxo-2-pyrrolidin-1-ylethyl) benzoate. 4'-Ethoxycarbonyl-«alpha»-(2-oxopyrrolidino)hexanophene. [2-(4-hydroxypiperidin-1-yl)-2-oxoethyl] benzoate. R,S-4'-methyl-«alpha»-pyrrolidinohexanophenone-M (oxo-carboxy-HO-alkyl-), ethylated. 13«alpha»-Benzoyloxylupanine. «alpha»-Methylfentanyl. 4'-Ethoxycarbonyl-«alpha»-pyrrolidinohexanophene.

Find more compounds similar to [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] benzoate.

Sources

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