1-[1-(3-Ethoxy-4-methoxyphenyl)ethyl]piperidine-4-carboxylic acid
Basic information
- CAS
5105-23-7- Standard SMILES
CCOc1cc(C(C)N2CCC(C(=O)O)CC2)ccc1OC- InChIKey
OKYWHOGHXHHCQW-UHFFFAOYSA-N- Molecular formula
- C17H25NO4
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.17835828
Names & identifiers
- Preferred name
- 1-[1-(3-Ethoxy-4-methoxyphenyl)ethyl]piperidine-4-carboxylic acid
- IUPAC
- 1-[1-(3-ethoxy-4-methoxyphenyl)ethyl]piperidine-4-carboxylic acid
Names & synonyms
5105-23-71-[1-(3-ethoxy-4-methoxyphenyl)ethyl]piperidine-4-carboxylic acidDTXSID50411223
Database identifiers
- CAS
5105-23-7- PubChem CID
- 5223358
- DTXSID
DTXSID50411223
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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