| CAS Number | 871909-83-0 |
| Catalog Number | AG019OS5 |
| Chemical Name | 1-(3,5-Dimethylpiperidin-1-yl)-2-(piperazin-1-yl)ethan-1-one |
| IUPAC Name | 1-(3,5-dimethylpiperidin-1-yl)-2-piperazin-1-ylethanone |
| InChI | InChI=1S/C13H25N3O/c1-11-7-12(2)9-16(8-11)13(17)10-15-5-3-14-4-6-15/h11-12,14H,3-10H2,1-2H3 |
| InChI Key | GRYXFBVMMLAQPH-UHFFFAOYSA-N |
| MDL Number | MFCD07366462 |
| Molecular Formula | C13H25N3O |
| Molecular Weight | 239.3571 |
| SMILES | CC1CN(C(CN2CCNCC2)=O)CC(C)C1 |
| Synonyms | 1-(3,5-dimethylpiperidin-1-yl)-2-(piperazin-1-yl)ethan-1-one,
871909-83-0,
1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine,
AC1Q2QLL,
CTK6B4972,
AKOS005261471,
MCULE-8633918761,
NE13642,
EN300-15052,
1-(3,5-dimethyl-piperidin-1-yl)-2-piperazin-1-yl-ethanone, AldrichCPR,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.2g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.363g/mol |
| Monoisotopic Mass | 239.2g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number