| CAS Number | 389628-28-8 |
| Catalog Number | AG00I7PL(AGN-PC-0RI7QR) |
| Chemical Name | 1-Boc-4-(2-pyridinylcarbonyl)-piperazine |
| IUPAC Name | tert-butyl 4-(pyridine-2-carbonyl)piperazine-1-carboxylate |
| InChI | InChI=1S/C15H21N3O3/c1-15(2,3)21-14(20)18-10-8-17(9-11-18)13(19)12-6-4-5-7-16-12/h4-7H,8-11H2,1-3H3 |
| InChI Key | IXIJSXMGDHIBBC-UHFFFAOYSA-N |
| MDL Number | MFCD16620802 |
| Molecular Formula | C15H21N3O3 |
| Molecular Weight | 291.3455 |
| SMILES | N1=CC=C(C=C1)C(=O)C1N(CCNC1)C(=O)OC(C)(C)C |
| Synonyms | 1-Boc-4-(2-pyridinylcarbonyl)-piperazine,
389628-28-8,
tert-Butyl 4-picolinoylpiperazine-1-carboxylate,
SCHEMBL1088005,
MFCD16620802,
ZINC74603147,
AKOS027252913,
AS-44763,
tert-butyl 4-(pyridine-2-carbonyl)piperazine-1-carboxylate,
tert-Butyl 4-(2-pyridinylcarbonyl)-1-piperazinecarboxylate, AldrichCPR,
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| Complexity | 384 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.351g/mol |
| Monoisotopic Mass | 291.158g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number