Basic information
- CAS
27218-32-2- Standard SMILES
COc1ccc(CN2CCN(CCCC(=O)c3ccc(F)cc3)CC2)cc1.Cl- InChIKey
JAZNZDXUGUFOAB-UHFFFAOYSA-N- Molecular formula
- C22H28ClFN2O2
- Average molar mass
- 406.9 g/mol
- Monoisotopic mass
- 406.182334
Names & identifiers
- Preferred name
- 1-Butanone, 1-(4-fluorophenyl)-4-(4-((4-methoxyphenyl)methyl)-1-piperazinyl)-, hydrochloride
- IUPAC
- 1-(4-fluorophenyl)-4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]butan-1-one;hydrochloride
Names & synonyms
1-Butanone, 1-(4-fluorophenyl)-4-(4-((4-methoxyphenyl)methyl)-1-piperazinyl)-, hydrochloride27218-32-21-(4-Fluorophenyl)-4-(4-((4-methoxyphenyl)methyl)-1-piperazinyl)-1-butanone hydrochlorideDTXSID60181687RefChem:228859DTXCID001041781-(4-Fluorophenyl)-4-{4-[(4-methoxyphenyl)methyl]piperazin-1-yl}butan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
27218-32-2- PubChem CID
- 213874
- DTXSID
DTXSID60181687
Properties
Computed structural properties
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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