Basic information
- CAS
6032-98-0- Standard SMILES
CCCC(=O)c1ccc(N2CCN(C(=O)CCC)CC2)c(F)c1- InChIKey
HUWSKRZCBGYFOF-UHFFFAOYSA-N- Molecular formula
- C18H25FN2O2
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.19000621
Names & identifiers
- Preferred name
- ST051258
- IUPAC
- 1-[4-(4-butanoylpiperazin-1-yl)-3-fluorophenyl]butan-1-one
Names & synonyms
ST0512586032-98-0DTXSID90346545RefChem:381403DTXCID202976171-[4-(4-Butyryl-1-piperazinyl)-3-fluorophenyl]-1-butanone1-[4-(4-butanoyl-2-fluorophenyl)piperazin-1-yl]butan-1-oneCBMicro_014660Oprea1_387171HUWSKRZCBGYFOF-UHFFFAOYSA-N1-[4-(4-butanoylpiperazin-1-yl)-3-fluorophenyl]butan-1-oneButan-1-one, 1-[4-(4-butanoyl-1-piperazinyl)-3-fluorophenyl]-
Show more names
SMSF0011688AKOS000670051CB12339BIM-0014500.P001AG-205/40775818SR-01000533480SR-01000533480-11-[4-(4-butanoyl-2-fluorophenyl)piperazinyl]butan-1-one
Database identifiers
- CAS
6032-98-0- PubChem CID
- 613142
- DTXSID
DTXSID90346545
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…