Chemical Properties of (E)-5-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)pent-2-en-1-one (CAS 23512-46-1)

(E)-5-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)pent-2-en-1-one

InChI
InChI=1S/C17H21NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h3,7-9,12H,1-2,4-6,10-11,13H2/b7-3+
InChI Key
QHWOFMXDKFORMO-XVNBXDOJSA-N
Formula
C17H21NO3
SMILES
O=C(C=CCCc1ccc2c(c1)OCO2)N1CCCCC1
Molecular Weight1
287.35
CAS
23512-46-1
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Physical Properties

Property Value Unit Source
log10WS -3.71 Relay (1.0) Calculated Property
logPoct/wat 2.917 Crippen Calculated Property
McVol 223.900 ml/mol McGowan Calculated Property
Inp [2594.00; 2655.60]   Show Hide
Inp 2594.00 NIST
Inp 2655.60 NIST
Inp 2594.00 NIST
Inp 2655.60 NIST
Tboil 658.66 K Relay (1.0) Calculated Property
Tfus 340.33 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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

5-(Methylenedioxyphenyl)-2-pentenoyl pyrrolidide. Azatadine M (OH-aryl), acetylated. Cytidine, dimethyl-TMS derivative. Carteolol hydroxy, acetylated. Atropine, picolinyloxydimethylsilyl ether. (E)-5-(Benzo[d][1,3]dioxol-5-yl)-N-isobutylpent-2-enamide. (2E,10E)-11-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)undeca-2,10-dien-1-one. (2E,8E)-9-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)nona-2,8-dien-1-one. Acetyldihydrocodeine. N-Desmethylmirtazapine. Hydrocodone. Methyldihydromorphine. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 2. ethyl eburnamenine-14-carboxylate. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 1.

Find more compounds similar to (E)-5-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)pent-2-en-1-one.

Sources

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