| CAS Number | 1620128-54-2 |
| Catalog Number | AG00ILR5(AGN-PC-0WAM35) |
| Chemical Name | Methyl cis-1-Boc-4-aminopiperidine-3-carboxylate |
| IUPAC Name | 1-O-tert-butyl 3-O-methyl 4-aminopiperidine-1,3-dicarboxylate |
| InChI | InChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-6-5-9(13)8(7-14)10(15)17-4/h8-9H,5-7,13H2,1-4H3 |
| InChI Key | NBPKQJCULPQVNO-UHFFFAOYSA-N |
| MDL Number | MFCD21332897 |
| Molecular Formula | C12H22N2O4 |
| Molecular Weight | 258.3141 |
| SMILES | O=C([C@@H]1CN(C(OC(C)(C)C)=O)CC[C@@H]1N)OC |
| Synonyms | 1620128-54-2,
Methyl cis-1-Boc-4-aminopiperidine-3-carboxylate,
SCHEMBL1219232,
NBPKQJCULPQVNO-UHFFFAOYSA-N,
AKOS023596766,
1-O-tert-butyl 3-O-methyl (3S,4R)-4-aminopiperidine-1,3-dicarboxylate,
4-amino-piperidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl ester,
|
| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.318g/mol |
| Monoisotopic Mass | 258.158g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 81.9A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number