1-[4-(4-Butanoyl-2-fluoro-5-methylphenyl)piperazin-1-yl]pentan-1-one
Basic information
- CAS
694517-03-8- Standard SMILES
CCCCC(=O)N1CCN(c2cc(C)c(C(=O)CCC)cc2F)CC1- InChIKey
IDYQCTRAPIONQU-UHFFFAOYSA-N- Molecular formula
- C20H29FN2O2
- Average molar mass
- 348.5 g/mol
- Monoisotopic mass
- 348.22130633
Names & identifiers
- Preferred name
- 1-[4-(4-Butanoyl-2-fluoro-5-methylphenyl)piperazin-1-yl]pentan-1-one
- IUPAC
- 1-[4-(4-butanoyl-2-fluoro-5-methylphenyl)piperazin-1-yl]pentan-1-one
Names & synonyms
694517-03-81-[4-[2-Fluoro-5-methyl-4-(1-oxobutyl)phenyl]-1-piperazinyl]-1-pentanone1-[4-(4-butanoyl-2-fluoro-5-methylphenyl)piperazin-1-yl]pentan-1-oneDTXSID8011502501-[5-fluoro-2-methyl-4-(4-pentanoyl-1-piperazinyl)phenyl]-1-butanone
Database identifiers
- CAS
694517-03-8- PubChem CID
- 2198409
- DTXSID
DTXSID801150250
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 449
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Compound notes
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