| CAS Number | 926254-27-5 |
| Catalog Number | AG019Y04 |
| Chemical Name | 2-(3-methoxyphenyl)-1-(piperazin-1-yl)ethan-1-one |
| IUPAC Name | 2-(3-methoxyphenyl)-1-piperazin-1-ylethanone |
| InChI | InChI=1S/C13H18N2O2/c1-17-12-4-2-3-11(9-12)10-13(16)15-7-5-14-6-8-15/h2-4,9,14H,5-8,10H2,1H3 |
| InChI Key | PFFDWHCBSKJONS-UHFFFAOYSA-N |
| MDL Number | MFCD08442331 |
| Molecular Formula | C13H18N2O2 |
| Molecular Weight | 234.2942 |
| SMILES | COC1=CC(CC(N2CCNCC2)=O)=CC=C1 |
| Synonyms | 2-(3-methoxyphenyl)-1-(piperazin-1-yl)ethan-1-one,
926254-27-5,
1-[(3-Methoxyphenyl)acetyl]piperazine,
AC1Q48CE,
CTK7A9337,
ZINC21951484,
AKOS000125268,
MCULE-9156706512,
NE37734,
EN300-56536,
2-(3-METHOXYPHENYL)-1-(PIPERAZIN-1-YL)ETHANONE,
Z228587086,
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| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.299g/mol |
| Monoisotopic Mass | 234.137g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number