| CAS Number | 1278859-58-7 |
| Catalog Number | AG009X29(AGN-PC-0WAEGQ) |
| Chemical Name | N-BOC-4-(4-BOC-piperazinocarbonyl)piperidine |
| IUPAC Name | tert-butyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperazine-1-carboxylate |
| InChI | InChI=1S/C20H35N3O5/c1-19(2,3)27-17(25)22-9-7-15(8-10-22)16(24)21-11-13-23(14-12-21)18(26)28-20(4,5)6/h15H,7-14H2,1-6H3 |
| InChI Key | GOUCKFWZYOLRAN-UHFFFAOYSA-N |
| MDL Number | MFCD22549329 |
| Molecular Formula | C20H35N3O5 |
| Molecular Weight | 397.5090 |
| SMILES | CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | N-BOC-4-(4-BOC-PIPERAZINOCARBONYL)PIPERIDINE,
1278859-58-7,
C20H35N3O5,
KM3991,
ZINC62211901,
AKOS006688689,
Z9372,
tert-butyl 4-{1-[(tert-butoxy)carbonyl]piperidine-4-carbonyl}piperazine-1-carboxylate,
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| Complexity | 578 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 397.258g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 397.516g/mol |
| Monoisotopic Mass | 397.258g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 79.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number