Basic information
- CAS
959795-66-5- Standard SMILES
CN1CCN(C(=O)c2ccc(F)c(N)c2)CC1- InChIKey
LTRXUBLGNBCWOT-UHFFFAOYSA-N- Molecular formula
- C12H16FN3O
- Average molar mass
- 237.27 g/mol
- Monoisotopic mass
- 237.1277403
Names & identifiers
- Preferred name
- (3-Amino-4-fluorophenyl)(4-methyl-1-piperazinyl)methanone
- IUPAC
- (3-amino-4-fluorophenyl)-(4-methylpiperazin-1-yl)methanone
Names & synonyms
959795-66-5(3-Amino-4-fluorophenyl)(4-methyl-1-piperazinyl)methanoneSCHEMBL11976982DTXSID101197330AKOS005831369DB-420093(3-Amino-4-fluorophenyl)(4-methylpiperazin-1-yl)methanone
Database identifiers
- CAS
959795-66-5- PubChem CID
- 39335209
- DTXSID
DTXSID101197330
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 49.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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