Basic information
- CAS
17160-74-6- Standard SMILES
COc1ccccc1N1CCN(CCCCCCC(=O)c2ccc(F)cc2)CC1- InChIKey
LYDVNNFYKGNCDH-UHFFFAOYSA-N- Molecular formula
- C24H31FN2O2
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.2369564
Names & identifiers
- Preferred name
- Heptanophenone, 4'-fluoro-7-(4-(o-methoxyphenyl)-1-piperazinyl)-
- IUPAC
- 1-(4-fluorophenyl)-7-[4-(2-methoxyphenyl)piperazin-1-yl]heptan-1-one
Names & synonyms
BRN 0715641HEPTANOPHENONE, 4'-FLUORO-7-(4-(o-METHOXYPHENYL)-1-PIPERAZINYL)-17160-74-64'-Fluoro-7-(4-(o-methoxyphenyl)-1-piperazinyl)heptanophenoneDTXSID30169139RefChem:347282DTXCID10916301-(4-fluorophenyl)-7-[4-(2-methoxyphenyl)piperazin-1-yl]heptan-1-one
Database identifiers
- CAS
17160-74-6- PubChem CID
- 28347
- DTXSID
DTXSID30169139
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 474
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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