| CAS Number | 2055119-02-1 |
| Catalog Number | AG00I3WD(AGN-PC-0WQZ5Q) |
| Chemical Name | tert-Butyl 4-[3-(methoxycarbonyl)pyridin-2-yl]piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(3-methoxycarbonylpyridin-2-yl)piperazine-1-carboxylate |
| InChI | InChI=1S/C16H23N3O4/c1-16(2,3)23-15(21)19-10-8-18(9-11-19)13-12(14(20)22-4)6-5-7-17-13/h5-7H,8-11H2,1-4H3 |
| InChI Key | IDHUYQYTOOTPSR-UHFFFAOYSA-N |
| MDL Number | MFCD30527599 |
| Molecular Formula | C16H23N3O4 |
| Molecular Weight | 321.3715 |
| SMILES | COC(=O)c1cccnc1N1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | tert-Butyl 4-[3-(methoxycarbonyl)pyridin-2-yl]piperazine-1-carboxylate,
2055119-02-1,
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| Complexity | 428 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.377g/mol |
| Monoisotopic Mass | 321.169g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 72A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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