3-Piperidinecarboxylic acid, 4-hydroxy-1-methyl-, ethyl ester
Basic information
- CAS
37673-66-8- Standard SMILES
CCOC(=O)C1CN(C)CCC1O- InChIKey
QMOQPVUFPHQBEA-UHFFFAOYSA-N- Molecular formula
- C9H17NO3
- Average molar mass
- 187.24 g/mol
- Monoisotopic mass
- 187.1208434
Names & identifiers
- Preferred name
- 3-Piperidinecarboxylic acid, 4-hydroxy-1-methyl-, ethyl ester
- IUPAC
- ethyl 4-hydroxy-1-methylpiperidine-3-carboxylate
Names & synonyms
37673-66-83-Piperidinecarboxylic acid, 4-hydroxy-1-methyl-, ethyl esterRefChem:1068520ethyl 4-hydroxy-1-methylpiperidine-3-carboxylate1-Methyl-4-hydroxynipecotinic acid ethyl esterBRN 01386681-Methyl-4-hydroxy-nipecotinsaeureaethylester [German]4-Hydroxy-1-methyl-3-piperidinecarboxylic acid ethyl ester1-Methyl-4-hydroxy-nipecotinsaeureaethylester4-22-00-02070 (Beilstein Handbook Reference)DTXSID20958711
Database identifiers
- CAS
37673-66-8- PubChem CID
- 216768
- DTXSID
DTXSID20958711
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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