| CAS Number | 1353629-99-8 |
| Catalog Number | AG019ENJ(AGN-PC-0WOFDG) |
| Chemical Name | 1-((Benzyloxy)carbonyl)-4-methylpiperidine-2-carboxylic acid |
| IUPAC Name | 4-methyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid |
| InChI | InChI=1S/C15H19NO4/c1-11-7-8-16(13(9-11)14(17)18)15(19)20-10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,17,18) |
| InChI Key | CHHYCTGYIQOAJQ-UHFFFAOYSA-N |
| MDL Number | MFCD10688366 |
| Molecular Formula | C15H19NO4 |
| Molecular Weight | 277.3157 |
| SMILES | C(C1=CC=CC=C1)OC(=O)N1C(CC(CC1)C)C(=O)O |
| Synonyms | 4-METHYL-PIPERIDINE-1,2-DICARBOXYLIC ACID 1-BENZYL ESTER,
166249-84-9,
1353629-99-8,
1-((Benzyloxy)carbonyl)-4-methylpiperidine-2-carboxylic acid,
1-[(Benzyloxy)carbonyl]-4-methylpiperidine-2-carboxylic acid,
4-methyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid,
SCHEMBL2760309,
CTK8H1882,
DTXSID90596568,
MFCD10688366,
AKOS026739788,
CS-0035864,
4-methylpiperidine-1,2-dicarboxylic acid 1-benzyl ester,
CHHYCTGYIQOAJQ-UHFFFAOYSA-N,
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| Complexity | 352 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.32g/mol |
| Monoisotopic Mass | 277.131g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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