Basic information
- CAS
887209-58-7- Standard SMILES
O=C(CN1CCN(c2ccc(F)cc2)CC1)c1ccc(O)cc1O- InChIKey
FNXHVYLDAVUDRW-UHFFFAOYSA-N- Molecular formula
- C18H19FN2O3
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.13797063
Names & identifiers
- Preferred name
- 1-(2,4-Dihydroxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
- IUPAC
- 1-(2,4-dihydroxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
Names & synonyms
887209-58-71-(2,4-dihydroxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone1-(2,4-dihydroxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one1-(2,4-dihydroxyphenyl)-2-(4-(4-fluorophenyl)piperazin-1-yl)ethanoneMLS001167033CHEMBL1349965DTXSID201328782HMS2953C21STL033839AKOS002281853SMR000641328ST50475284
Show more names
SR-01000017950SR-01000017950-1F1863-00421-(2,4-dihydroxyphenyl)-2-[4-(4-fluorophenyl)piperazinyl]ethan-1-one
Database identifiers
- CAS
887209-58-7- PubChem CID
- 7162004
- DTXSID
DTXSID201328782- ChEMBL
CHEMBL1349965
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 420
Experimental & physicochemical properties
Solubility12.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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