| CAS Number | 169750-60-1 |
| Catalog Number | AG019ES8(AGN-PC-0Q9K3E) |
| Chemical Name | benzyl 4-{[(tert-butoxy)carbonyl]amino}-4-methylpiperidine-1-carboxylate |
| IUPAC Name | benzyl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate |
| InChI | InChI=1S/C19H28N2O4/c1-18(2,3)25-16(22)20-19(4)10-12-21(13-11-19)17(23)24-14-15-8-6-5-7-9-15/h5-9H,10-14H2,1-4H3,(H,20,22) |
| InChI Key | PPXPVZUUJLNEHY-UHFFFAOYSA-N |
| MDL Number | MFCD23099450 |
| Molecular Formula | C19H28N2O4 |
| Molecular Weight | 348.4366 |
| SMILES | CC(C)(C)OC(=O)NC1(C)CCN(CC1)C(=O)OCc1ccccc1 |
| Synonyms | benzyl 4-((tert-butoxycarbonyl)amino)-4-methylpiperidine-1-carboxylate,
169750-60-1,
SCHEMBL7507956,
MFCD23099450,
ZINC97062509,
BC600039,
CS-0062101,
Benzyl 4-((t-butoxycarbonyl)amino)-4-methylpiperidine-1-carboxylate,
1-Piperidinecarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methyl-, phenylmethyl ester,
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| Complexity | 459 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 348.205g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 348.443g/mol |
| Monoisotopic Mass | 348.205g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 67.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number