| CAS Number | 329042-42-4 |
| Catalog Number | AG01EIGP |
| Chemical Name | Methyl 4-(4-fluorophenyl)piperazine-1-carboxylate |
| IUPAC Name | methyl 4-(4-fluorophenyl)piperazine-1-carboxylate |
| InChI | InChI=1S/C12H15FN2O2/c1-17-12(16)15-8-6-14(7-9-15)11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3 |
| InChI Key | KWVIJGFYBHCKOB-UHFFFAOYSA-N |
| MDL Number | MFCD01340976 |
| Molecular Formula | C12H15FN2O2 |
| Molecular Weight | 238.2581 |
| SMILES | COC(N1CCN(C2=CC=C(F)C=C2)CC1)=O |
| Synonyms | methyl 4-(4-fluorophenyl)piperazine-1-carboxylate,
AC1LTQ5M,
Oprea1_635065,
ZINC1466524,
STK447931,
AKOS003253188,
MCULE-4026661684,
ST50915384,
methyl 4-(4-fluorophenyl)piperazinecarboxylate,
329042-42-4,
CID1537569,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.262g/mol |
| Monoisotopic Mass | 238.112g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 32.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number