1-[4-(4-Fluorophenoxy)butyl]-4-(2-methoxyphenyl)piperazin-1-ium
Basic information
- CAS
5703-88-8- Standard SMILES
COc1ccccc1N1CC[NH+](CCCCOc2ccc(F)cc2)CC1- InChIKey
LBTYJJUTDNCITA-UHFFFAOYSA-O- Molecular formula
- C21H28FN2O2+
- Average molar mass
- 359.5 g/mol
- Monoisotopic mass
- 359.2134813
Names & identifiers
- Preferred name
- 1-[4-(4-Fluorophenoxy)butyl]-4-(2-methoxyphenyl)piperazin-1-ium
- IUPAC
- 1-[4-(4-fluorophenoxy)butyl]-4-(2-methoxyphenyl)piperazin-1-ium
Names & synonyms
1-[4-(4-fluorophenoxy)butyl]-4-(2-methoxyphenyl)piperazin-1-iumDTXSID20365522
Database identifiers
- CAS
5703-88-8- PubChem CID
- 1900400
- DTXSID
DTXSID20365522
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 26.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 1
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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