| CAS Number | 1211595-81-1 |
| Catalog Number | AG01APKP(AGN-PC-0WCNDS) |
| Chemical Name | 4-[4-(tert-butoxycarbonyl)piperazin-1-yl]pyridine-2-carboxylic acid |
| IUPAC Name | 4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid |
| InChI | InChI=1S/C15H21N3O4/c1-15(2,3)22-14(21)18-8-6-17(7-9-18)11-4-5-16-12(10-11)13(19)20/h4-5,10H,6-9H2,1-3H3,(H,19,20) |
| InChI Key | GKPMJWWIACFBOT-UHFFFAOYSA-N |
| MDL Number | MFCD12547236 |
| Molecular Formula | C15H21N3O4 |
| Molecular Weight | 307.3449 |
| SMILES | CC(OC(N1CCN(C2=CC(C(O)=O)=NC=C2)CC1)=O)(C)C |
| Synonyms | 4-[4-(tert-butoxycarbonyl)piperazin-1-yl]pyridine-2-carboxylic acid,
1211595-81-1,
SBB083917,
ZINC56894669,
AKOS005169838,
MCULE-1561372115,
L-3871,
4-(4-(tert-butoxycarbonyl)piperazin-1-yl)picolinic acid,
F1957-0079,
4-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}pyridine-2-carboxylic acid,
4-{4-[(tert-butyl)oxycarbonyl]piperazinyl}pyridine-2-carboxylic acid,
|
| Complexity | 414 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.35g/mol |
| Monoisotopic Mass | 307.153g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 83A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number