| CAS Number | 1350807-20-3 |
| Catalog Number | AG00IXG3(AGN-PC-0WB0VT) |
| Chemical Name | tert-butyl 4-[6-(ethoxycarbonyl)pyridin-2-yl]piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(6-ethoxycarbonylpyridin-2-yl)piperazine-1-carboxylate |
| InChI | InChI=1S/C17H25N3O4/c1-5-23-15(21)13-7-6-8-14(18-13)19-9-11-20(12-10-19)16(22)24-17(2,3)4/h6-8H,5,9-12H2,1-4H3 |
| InChI Key | AZNAPGCOZCKSHN-UHFFFAOYSA-N |
| MDL Number | MFCD20921603 |
| Molecular Formula | C17H25N3O4 |
| Molecular Weight | 335.3981 |
| SMILES | O=C(OC(C)(C)C)N2(CCN(C1(=NC(C(=O)OCC)=CC=C1))CC2) |
| Synonyms | 1350807-20-3,
tert-butyl 4-[6-(ethoxycarbonyl)pyridin-2-yl]piperazine-1-carboxylate,
tert-Butyl 4-(6-(ethoxycarbonyl)pyridin-2-yl)piperazine-1-carboxylate,
SCHEMBL439026,
KS-000027QK,
ZX-RL003065,
MFCD20921603,
ZINC71789041,
AKOS015991552,
MF-0714,
RP16710,
OR303837,
tertbutylethoxycarbonylpyridinylpiperazinecarboxylate,
tert-Butyl 4-[6-(ethoxycarbonyl)pyridin-2-yl]-piperazine-1-carboxylate,
|
| Complexity | 442 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.185g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 335.404g/mol |
| Monoisotopic Mass | 335.185g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 72A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number