| CAS Number | 338396-68-2 |
| Catalog Number | AG00IOQA(AGN-PC-0WAS3X) |
| Chemical Name | 2-(4-(4-Methoxyphenyl)piperazin-1-yl)-1-phenylethan-1-one |
| IUPAC Name | 2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone |
| InChI | InChI=1S/C19H22N2O2/c1-23-18-9-7-17(8-10-18)21-13-11-20(12-14-21)15-19(22)16-5-3-2-4-6-16/h2-10H,11-15H2,1H3 |
| InChI Key | USOKYESIBPHMER-UHFFFAOYSA-N |
| MDL Number | MFCD06496145 |
| Molecular Formula | C19H22N2O2 |
| Molecular Weight | 310.3902 |
| SMILES | O=C(C1=CC=CC=C1)CN2CCN(C3=CC=C(OC)C=C3)CC2 |
| Synonyms | 2-[4-(4-methoxyphenyl)piperazino]-1-phenyl-1-ethanone,
338396-68-2,
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone,
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethan-1-one,
AC1LHIND,
MLS001165457,
CHEMBL1360204,
KS-00001UEZ,
HMS2856L11,
STL102724,
ZINC36382123,
AKOS005084750,
MCULE-7007176156,
SMR000549458,
2F-960,
CID863811,
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenyl-ethanone,
|
| Complexity | 366 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.397g/mol |
| Monoisotopic Mass | 310.168g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 32.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number