| CAS Number | 1197488-32-6 |
| Catalog Number | AG019WV3 |
| Chemical Name | Tert-butyl 4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidine-1-carboxylate |
| InChI | InChI=1S/C17H31N3O3/c1-17(2,3)23-16(22)20-7-5-14(6-8-20)13-15(21)19-11-9-18(4)10-12-19/h14H,5-13H2,1-4H3 |
| InChI Key | KGALMZVJHJLFEU-UHFFFAOYSA-N |
| MDL Number | MFCD12913228 |
| Molecular Formula | C17H31N3O3 |
| Molecular Weight | 325.4463 |
| SMILES | CN1CCN(C(CC2CCN(C(OC(C)(C)C)=O)CC2)=O)CC1 |
| Synonyms | tert-butyl 4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidine-1-carboxylate,
1197488-32-6,
AC1Q3ZT0,
CTK6I2892,
ZINC38342162,
AKOS034591992,
MCULE-4229593399,
NE24299,
EN300-53233,
Z803153692,
|
| Complexity | 417 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.237g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.453g/mol |
| Monoisotopic Mass | 325.237g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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