| CAS Number | 633283-64-4 |
| Catalog Number | AG00EKPW(AGN-PC-0T7X08) |
| Chemical Name | 3-(4-BOC-piperazino)-2-chloropyridine |
| IUPAC Name | tert-butyl 4-(2-chloropyridin-3-yl)piperazine-1-carboxylate |
| InChI | InChI=1S/C14H20ClN3O2/c1-14(2,3)20-13(19)18-9-7-17(8-10-18)11-5-4-6-16-12(11)15/h4-6H,7-10H2,1-3H3 |
| InChI Key | WZDUKAPYVNYSAV-UHFFFAOYSA-N |
| MDL Number | MFCD12923073 |
| Molecular Formula | C14H20ClN3O2 |
| Molecular Weight | 297.7805 |
| SMILES | O=C(N1CCN(CC1)c1cccnc1Cl)OC(C)(C)C |
| Synonyms | 3-(4-BOC-piperazino)-2-chloropyridine,
633283-64-4,
4-(2-CHLORO-3-PYRIDINYL)-1-PIPERAZINECARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER,
SCHEMBL123592,
WZDUKAPYVNYSAV-UHFFFAOYSA-N,
KM0732,
ZINC73734776,
CJ-21720,
DB-073306,
FT-0748962,
V7017,
4-(2-Chloro-pyridin-3-yl)-piperazine-1-carboxylic acid t-butyl ester,
4-(2-chloro-pyridin-3-yl)-piperazine-1-carboxylic acid tert-butyl ester,
4-(2-Chloropyridin-3-yl)-piperazine-1-carboxylic acid t-butyl ester,
C14H20ClN3O2,
4-(2-Chloro-3-pyridinyl)- 1- Piperazinecarboxylic acid 1,1-dimethylethyl este,
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| Complexity | 338 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.783g/mol |
| Monoisotopic Mass | 297.124g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 45.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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