| CAS Number | 216228-85-2 |
| Catalog Number | AG01BAOV(AGN-PC-03TOPO) |
| Chemical Name | 1,4-Di-tert-butyl 2-formylpiperazine-1,4-dicarboxylate |
| IUPAC Name | ditert-butyl 2-formylpiperazine-1,4-dicarboxylate |
| InChI | InChI=1S/C15H26N2O5/c1-14(2,3)21-12(19)16-7-8-17(11(9-16)10-18)13(20)22-15(4,5)6/h10-11H,7-9H2,1-6H3 |
| InChI Key | BYGMEAQCXLANNP-UHFFFAOYSA-N |
| MDL Number | MFCD11878464 |
| Molecular Formula | C15H26N2O5 |
| Molecular Weight | 314.3773 |
| SMILES | CC(OC(N1CC(C=O)N(C(OC(C)(C)C)=O)CC1)=O)(C)C |
| Synonyms | 1,4-di-tert-butyl 2-formylpiperazine-1,4-dicarboxylate,
216228-85-2,
SCHEMBL780241,
BYGMEAQCXLANNP-UHFFFAOYSA-N,
di-tert-butyl 2-formylpiperazine-1,4-dicarboxylate,
2-Formyl-piperazine-1,4-dicarboxylic acid di-tert-butyl ester,
|
| Complexity | 436 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.382g/mol |
| Monoisotopic Mass | 314.184g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 76.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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