Basic information
- CAS
2194-75-4- Standard SMILES
O=C(CN1CCN(CC2Oc3ccccc3O2)CC1)c1ccc(F)cc1- InChIKey
GDDDHZNLRSVFKC-UHFFFAOYSA-N- Molecular formula
- C20H21FN2O3
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.1536207
Names & identifiers
- Preferred name
- Acetophenone, 4'-fluoro-2-(4-piperonylpiperazin-1-yl)-
- IUPAC
- 2-[4-(1,3-benzodioxol-2-ylmethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
Names & synonyms
BRN 08993801-(4-Fluorophenacyl)-4-piperonylpiperazine2194-75-44'-Fluoro-2-(4-piperonyl-piperazin-1-yl)acetophenoneACETOPHENONE, 4'-FLUORO-2-(4-PIPERONYLPIPERAZIN-1-YL)-5-23-02-00529 (Beilstein Handbook Reference)RefChem:316969DTXSID009445362-{4-[(2H-1,3-Benzodioxol-2-yl)methyl]piperazin-1-yl}-1-(4-fluorophenyl)ethan-1-one
Database identifiers
- CAS
2194-75-4- PubChem CID
- 16611
- DTXSID
DTXSID00944536
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 462
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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