| CAS Number | 1306606-87-0 |
| Catalog Number | AG019VP7 |
| Chemical Name | 2-chloro-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethan-1-one |
| IUPAC Name | 2-chloro-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone |
| InChI | InChI=1S/C14H23ClN2O2/c1-11-3-2-6-17(10-11)14(19)12-4-7-16(8-5-12)13(18)9-15/h11-12H,2-10H2,1H3 |
| InChI Key | DTQJNZRNZAYRLL-UHFFFAOYSA-N |
| MDL Number | MFCD18838638 |
| Molecular Formula | C14H23ClN2O2 |
| Molecular Weight | 286.7976 |
| SMILES | CC1CN(C(C2CCN(C(CCl)=O)CC2)=O)CCC1 |
| Synonyms | 2-chloro-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethan-1-one,
1306606-87-0,
2-chloro-1-{4-[(3-methylpiperidin-1-yl)carbonyl]piperidin-1-yl}ethan-1-one,
AKOS033429347,
NE18764,
EN300-47837,
Z1562125242,
|
| Complexity | 340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.145g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.8g/mol |
| Monoisotopic Mass | 286.145g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number