1-[2-[3-(3-Methoxyphenyl)-3-phenylprop-2-enoxy]ethyl]piperidine-3-carboxylic acid
Basic information
- Standard SMILES
COc1cccc(C(=CCOCCN2CCCC(C(=O)O)C2)c2ccccc2)c1- InChIKey
ZVXDTZWVAIVJLC-UHFFFAOYSA-N- Molecular formula
- C24H29NO4
- Average molar mass
- 395.5 g/mol
- Monoisotopic mass
- 395.20965841
Names & identifiers
- Preferred name
- 1-[2-[3-(3-Methoxyphenyl)-3-phenylprop-2-enoxy]ethyl]piperidine-3-carboxylic acid
- IUPAC
- 1-[2-[3-(3-methoxyphenyl)-3-phenylprop-2-enoxy]ethyl]piperidine-3-carboxylic acid
Names & synonyms
SCHEMBL7917384
Database identifiers
- PubChem CID
- 54569015
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 529
Related reactions
2 records
Compound notes
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