| CAS Number | 1820580-61-7 |
| Catalog Number | AG00I0ER |
| Chemical Name | cis-1-(4-Methoxybenzyl)-3-methylpiperidine-2-carboxylic acid |
| IUPAC Name | (2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidine-2-carboxylic acid |
| InChI | InChI=1S/C15H21NO3/c1-11-4-3-9-16(14(11)15(17)18)10-12-5-7-13(19-2)8-6-12/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,17,18)/t11-,14+/m1/s1 |
| InChI Key | NFOJYQNINUDXGY-RISCZKNCSA-N |
| MDL Number | MFCD28397254 |
| Molecular Formula | C15H21NO3 |
| Molecular Weight | 263.3321 |
| SMILES | COc1ccc(cc1)CN1CCC[C@H]([C@H]1C(=O)O)C |
| Synonyms | cis-1-(4-Methoxybenzyl)-3-methylpiperidine-2-carboxylic acid,
1820580-61-7,
ZINC217044161,
N/A,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.337g/mol |
| Monoisotopic Mass | 263.152g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
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