1-[(4-Hydroxy-3,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid
Basic information
- CAS
901921-23-1- Standard SMILES
Cc1cc(CN2CCC(C(=O)O)CC2)cc(C)c1O- InChIKey
INGIJHXAGXQOKU-UHFFFAOYSA-N- Molecular formula
- C15H21NO3
- Average molar mass
- 263.33 g/mol
- Monoisotopic mass
- 263.15214353
Names & identifiers
- Preferred name
- 1-[(4-Hydroxy-3,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid
- IUPAC
- 1-[(4-hydroxy-3,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid
Names & synonyms
DTXSID7011584751-[(4-Hydroxy-3,5-dimethylphenyl)methyl]-4-piperidinecarboxylic acid1-[(4-hydroxy-3,5-dimethylphenyl)methyl]piperidine-4-carboxylic acidAKOS014388840901921-23-1
Database identifiers
- CAS
901921-23-1- PubChem CID
- 4332237
- DTXSID
DTXSID701158475
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 301
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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