Basic information
- CAS
1016516-94-1- Standard SMILES
Cc1ccccc1CC(=O)N1CCCC(C(=O)O)C1- InChIKey
KMYDGJDTWZCQBO-UHFFFAOYSA-N- Molecular formula
- C15H19NO3
- Average molar mass
- 261.32 g/mol
- Monoisotopic mass
- 261.13649347
Names & identifiers
- Preferred name
- 1-[(2-Methylphenyl)acetyl]piperidine-3-carboxylic acid
- IUPAC
- 1-[2-(2-methylphenyl)acetyl]piperidine-3-carboxylic acid
Names & synonyms
DTXSID801200647AKOS000160277AKOS017272263Z858943651-[(2-Methylphenyl)acetyl]piperidine-3-carboxylic acid1-[2-(2-Methylphenyl)acetyl]-3-piperidinecarboxylic acid1016516-94-1
Database identifiers
- CAS
1016516-94-1- PubChem CID
- 20119037
- DTXSID
DTXSID801200647
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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