| CAS Number | 954276-56-3 |
| Catalog Number | AG019MX0 |
| Chemical Name | 2-(4-fluorophenyl)-1-(piperazin-1-yl)ethan-1-one |
| IUPAC Name | 2-(4-fluorophenyl)-1-piperazin-1-ylethanone |
| InChI | InChI=1S/C12H15FN2O/c13-11-3-1-10(2-4-11)9-12(16)15-7-5-14-6-8-15/h1-4,14H,5-9H2 |
| InChI Key | MWKJJWVOYQYVGP-UHFFFAOYSA-N |
| MDL Number | MFCD09739284 |
| Molecular Formula | C12H15FN2O |
| Molecular Weight | 222.2587 |
| SMILES | FC1=CC=C(CC(N2CCNCC2)=O)C=C1 |
| Synonyms | 1-[(4-fluorophenyl)acetyl]piperazine,
2-(4-fluorophenyl)-1-(piperazin-1-yl)ethan-1-one,
954276-56-3,
AC1Q4MDG,
SCHEMBL8908929,
CTK7G3517,
ZINC19679888,
AKOS000146190,
MCULE-9218574055,
NE55916,
BB 0247735,
EN300-37564,
2-(4-Fluoro-phenyl)-1-piperazin-1-yl-ethanon e,
A1-02402,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.263g/mol |
| Monoisotopic Mass | 222.117g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number