4-Piperidinol, 1-((6-chloro-2,3-dihydro-2-(4-methoxyphenyl)-3-oxo-1H-isoindol-1-yl)acetyl)-
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Basic information
- CAS
103255-64-7- Standard SMILES
COc1ccc(N2C(=O)c3ccc(Cl)cc3C2CC(=O)N2CCC(O)CC2)cc1- InChIKey
HEWPMOPWBVTFCL-UHFFFAOYSA-N- Molecular formula
- C22H23ClN2O4
- Average molar mass
- 414.9 g/mol
- Monoisotopic mass
- 414.1346349
Names & identifiers
- Preferred name
- 4-Piperidinol, 1-((6-chloro-2,3-dihydro-2-(4-methoxyphenyl)-3-oxo-1H-isoindol-1-yl)acetyl)-
- IUPAC
- 5-chloro-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-(4-methoxyphenyl)-3H-isoindol-1-one
- English name
- 1-((6-Chloro-2,3-dihydro-2-(4-methoxyphenyl)-3-oxo-1H-isoindol-1-yl)ac etyl)-4-piperidinol
- Molecular formula
- C22H23ClN2O4
- Molecular weight
- 414.88
Names & synonyms
103255-64-71-((6-Chloro-2,3-dihydro-2-(4-methoxyphenyl)-3-oxo-1H-isoindol-1-yl)acetyl)-4-piperidinol4-Piperidinol, 1-((6-chloro-2,3-dihydro-2-(4-methoxyphenyl)-3-oxo-1H-isoindol-1-yl)acetyl)-RefChem:2956925-chloro-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-(4-methoxyphenyl)-3H-isoindol-1-oneSCHEMBL10334137DTXSID109082801-((6-CHLORO-2,3-DIHYDRO-2-(4-METHOXYPHENYL)-3-OXO-1H-ISOINDOL-1-YL)AC ETYL)-4-PIPERIDINOL5-Chloro-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-(4-methoxyphenyl)-2,3-dihydro-1H-isoindol-1-one1H-Isoindol-1-one, 5-chloro-2,3-dihydro-3-[2-(4-hydroxy-1-piperidinyl)-2-oxoethyl]-2-(4-methoxyphenyl)-
Database identifiers
- CAS
103255-64-7- PubChem CID
- 3025481
- DTXSID
DTXSID10908280
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 602
Physicochemical properties
- Melting point
- 180 · 180-182 °C
- Boiling point
- 652.3 · 652.3±55.0 °C(Predicted)
- Density
- 1.347 · 1.347±0.06 g/cm3(Predicted)
- pka
- 14.63 · 14.63±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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