| CAS Number | 1016750-87-0 |
| Catalog Number | AG019XYG |
| Chemical Name | 3-(4-Methoxyphenyl)-1-(piperazin-1-yl)propan-1-one |
| IUPAC Name | 3-(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one |
| InChI | InChI=1S/C14H20N2O2/c1-18-13-5-2-12(3-6-13)4-7-14(17)16-10-8-15-9-11-16/h2-3,5-6,15H,4,7-11H2,1H3 |
| InChI Key | QFJIUCXUPAPWCH-UHFFFAOYSA-N |
| MDL Number | MFCD09806530 |
| Molecular Formula | C14H20N2O2 |
| Molecular Weight | 248.3208 |
| SMILES | COC1=CC=C(CCC(N2CCNCC2)=O)C=C1 |
| Synonyms | 3-(4-methoxyphenyl)-1-(piperazin-1-yl)propan-1-one,
1016750-87-0,
AC1Q4CGZ,
CTK7A3623,
ZINC19392861,
AKOS000159523,
MCULE-7845561285,
NE25627,
EN300-56403,
Z234897393,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.326g/mol |
| Monoisotopic Mass | 248.152g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number