1-[(2,4-Difluorophenyl)(3-ethoxy-4-methoxyphenyl)methyl]piperidine-4-carboxylic acid
Basic information
- CAS
5105-21-5- Standard SMILES
CCOc1cc(C(c2ccc(F)cc2F)N2CCC(C(=O)O)CC2)ccc1OC- InChIKey
JBJDSIBHKYTNED-UHFFFAOYSA-N- Molecular formula
- C22H25F2NO4
- Average molar mass
- 405.4 g/mol
- Monoisotopic mass
- 405.1751646
Names & identifiers
- Preferred name
- 1-[(2,4-Difluorophenyl)(3-ethoxy-4-methoxyphenyl)methyl]piperidine-4-carboxylic acid
- IUPAC
- 1-[(2,4-difluorophenyl)-(3-ethoxy-4-methoxyphenyl)methyl]piperidine-4-carboxylic acid
Names & synonyms
5105-21-5DTXSID904112221-[(2,4-Difluorophenyl)(3-ethoxy-4-methoxyphenyl)methyl]piperidine-4-carboxylic acid
Database identifiers
- CAS
5105-21-5- PubChem CID
- 5223349
- DTXSID
DTXSID90411222
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 529
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Compound notes
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