Basic information
- Standard SMILES
CCOc1ccc(N2CCC(c3ccc(C(C)C(=O)O)cc3)CC2)cc1- InChIKey
WDNMUWXSQRSZLJ-UHFFFAOYSA-N- Molecular formula
- C22H27NO3
- Average molar mass
- 353.5 g/mol
Names & identifiers
- Preferred name
- 2-{4-[1-(4-Ethoxy-phenyl)-piperidin-4-yl]-phenyl}-propionic acid
- IUPAC
- 2-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]propanoic acid
Names & synonyms
SCHEMBL14990712WDNMUWXSQRSZLJ-UHFFFAOYSA-N2-{4-[1-(4-Ethoxy-phenyl)-piperidin-4-yl]-phenyl}-propionic acid
Database identifiers
- PubChem CID
- 86686121
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 431
Related reactions
1 records
Compound notes
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