| CAS Number | 1071521-50-0 |
| Catalog Number | AG00HAXM(AGN-PC-0WCMFU) |
| Chemical Name | 1-Boc-4-(3-pyridinylcarbonyl)piperazine |
| IUPAC Name | tert-butyl 4-(pyridine-3-carbonyl)piperazine-1-carboxylate |
| InChI | InChI=1S/C15H21N3O3/c1-15(2,3)21-14(20)18-9-7-17(8-10-18)13(19)12-5-4-6-16-11-12/h4-6,11H,7-10H2,1-3H3 |
| InChI Key | UKHRIHCAJJGGAM-UHFFFAOYSA-N |
| MDL Number | MFCD16620803 |
| Molecular Formula | C15H21N3O3 |
| Molecular Weight | 291.3455 |
| SMILES | O=C(N1CCN(CC1)C(=O)c1cccnc1)OC(C)(C)C |
| Synonyms | 1-Boc-4-(3-pyridinylcarbonyl)piperazine,
1071521-50-0,
tert-Butyl 4-nicotinoylpiperazine-1-carboxylate,
SCHEMBL1088556,
4-(pyridine-3-carbonyl)piperazine-1-carboxylic acid tert-butyl ester,
MFCD16620803,
ZINC41115364,
MCULE-9460335450,
AO-854/43464327,
tert-butyl 4-(3-pyridinylcarbonyl)-1-piperazinecarboxylate,
tert-butyl 4-(pyridine-3-carbonyl)piperazine-1-carboxylate,
tert-Butyl 4-(pyridin-3-ylcarbonyl)-piperazine-1-carboxylate,
|
| 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 |
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Certificate of Analysis
Lot Number