| CAS Number | 724455-68-9 |
| Catalog Number | AG01EIFW |
| Chemical Name | 4-(4-Fluorophenyl)piperazine-1-carboxamide |
| IUPAC Name | 4-(4-fluorophenyl)piperazine-1-carboxamide |
| InChI | InChI=1S/C11H14FN3O/c12-9-1-3-10(4-2-9)14-5-7-15(8-6-14)11(13)16/h1-4H,5-8H2,(H2,13,16) |
| InChI Key | XARVCWHXIZRCGB-UHFFFAOYSA-N |
| MDL Number | MFCD04153419 |
| Molecular Formula | C11H14FN3O |
| Molecular Weight | 223.2468 |
| SMILES | NC(N1CCN(C2=CC=C(F)C=C2)CC1)=O |
| Synonyms | 4-(4-fluorophenyl)piperazine-1-carboxamide,
AC1LGU3L,
4-(4-fluorophenyl)-1-piperazinecarboxamide,
SCHEMBL16221494,
CTK7D3438,
ZINC386756,
AKOS000153021,
MCULE-1873141231,
724455-68-9,
AQ-360/42570618,
CID851859,
ZINC00386756,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.251g/mol |
| Monoisotopic Mass | 223.112g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number