| CAS Number | 2007919-36-8 |
| Catalog Number | AG01DTJK |
| Chemical Name | 1-Benzyl 3-Ethyl 2-Methylpiperidine-1,3-Dicarboxylate |
| IUPAC Name | 1-O-benzyl 3-O-ethyl 2-methylpiperidine-1,3-dicarboxylate |
| InChI | InChI=1S/C17H23NO4/c1-3-21-16(19)15-10-7-11-18(13(15)2)17(20)22-12-14-8-5-4-6-9-14/h4-6,8-9,13,15H,3,7,10-12H2,1-2H3 |
| InChI Key | PQWNVEQDKPEKJZ-UHFFFAOYSA-N |
| MDL Number | MFCD30471958 |
| Molecular Formula | C17H23NO4 |
| Molecular Weight | 305.3688 |
| SMILES | CCOC(=O)C1CCCN(C1C)C(=O)OCc1ccccc1 |
| Synonyms | 1-Benzyl 3-ethyl 2-methylpiperidine-1,3-dicarboxylate,
2007919-36-8,
SCHEMBL4158485,
MFCD30471958,
AKOS030628242,
CS-0039526,
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| Complexity | 379 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.374g/mol |
| Monoisotopic Mass | 305.163g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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