Ethyl 1-[2-(2,4-dihydroxy-3-methylphenyl)-2-oxoethyl]piperidine-4-carboxylate
Basic information
- CAS
887209-38-3- Standard SMILES
CCOC(=O)C1CCN(CC(=O)c2ccc(O)c(C)c2O)CC1- InChIKey
BWGUCWREJGOHMD-UHFFFAOYSA-N- Molecular formula
- C17H23NO5
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.15762283
Names & identifiers
- Preferred name
- Ethyl 1-[2-(2,4-dihydroxy-3-methylphenyl)-2-oxoethyl]piperidine-4-carboxylate
- IUPAC
- ethyl 1-[2-(2,4-dihydroxy-3-methylphenyl)-2-oxoethyl]piperidine-4-carboxylate
Names & synonyms
ethyl 1-[2-(2,4-dihydroxy-3-methylphenyl)-2-oxoethyl]piperidine-4-carboxylate887209-38-3F1863-0024ethyl 1-(2-(2,4-dihydroxy-3-methylphenyl)-2-oxoethyl)piperidine-4-carboxylateMLS001167022CHEMBL1343007DTXSID701328751HMS2953C23SMSSF-0043745STK928611AKOS002281880SMR000641321
Show more names
ST50475285VU0494560-1SR-01000017943SR-01000017943-1ethyl 1-[(2,4-dihydroxy-3-toluoyl)methyl]-4-piperidinecarboxylate
Database identifiers
- CAS
887209-38-3- PubChem CID
- 7198534
- DTXSID
DTXSID701328751- ChEMBL
CHEMBL1343007
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 419
Experimental & physicochemical properties
Solubility46.3 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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