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Basic information
- Standard SMILES
Fc1ccc(C(Nc2ccc(F)c(F)c2)C2CCN(CCCOc3ccc4ccccc4c3)CC2)cc1- InChIKey
JSFQSENEAQIZNQ-UHFFFAOYSA-N- Molecular formula
- C31H31F3N2O
- Average molar mass
- 504.6 g/mol
- Monoisotopic mass
- 504.2388481
Names & identifiers
- Preferred name
- 3,4-difluoro-N-[(4-fluorophenyl)-[1-(3-naphthalen-2-yloxypropyl)piperidin-4-yl]methyl]aniline
- IUPAC
- 3,4-difluoro-N-[(4-fluorophenyl)-[1-(3-naphthalen-2-yloxypropyl)piperidin-4-yl]methyl]aniline
Database identifiers
- PubChem CID
- 19772012
Properties
Computed structural propertiesFilling in
- XLogP
- 7.8
- Topological polar surface area
- 24.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 667
Related reactions
1 records
Compound notes
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