Basic information
- CAS
5463-31-0- Standard SMILES
CCOC(=O)C1(c2ccc(O)c(O)c2)CCN(C)CC1- InChIKey
FSXDAUOXFVZQSB-UHFFFAOYSA-N- Molecular formula
- C15H21NO4
- Average molar mass
- 279.33 g/mol
- Monoisotopic mass
- 279.14705815
Names & identifiers
- Preferred name
- Ethyl 4-(3,4-dihydroxyphenyl)-1-methyl-4-piperidinecarboxylate
- IUPAC
- ethyl 4-(3,4-dihydroxyphenyl)-1-methylpiperidine-4-carboxylate
Names & synonyms
Ethyl 4-(3,4-dihydroxyphenyl)-1-methyl-4-piperidinecarboxylate5463-31-0NSC 21337NSC21337DTXSID70203061ethyl 4-(3,4-dihydroxyphenyl)-1-methylpiperidine-4-carboxylateethyl 4-(3,4-dihydroxyphenyl)-1-methyl-piperidine-4-carboxylate
Database identifiers
- CAS
5463-31-0- PubChem CID
- 409473
- DTXSID
DTXSID70203061
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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