| CAS Number | 1198287-04-5 |
| Catalog Number | AG00HF50(AGN-PC-0WBOIW) |
| Chemical Name | 1-(tert-Butoxycarbonyl)-4-(naphthalen-1-yl)piperidine-4-carboxylic acid |
| IUPAC Name | 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-1-ylpiperidine-4-carboxylic acid |
| InChI | InChI=1S/C21H25NO4/c1-20(2,3)26-19(25)22-13-11-21(12-14-22,18(23)24)17-10-6-8-15-7-4-5-9-16(15)17/h4-10H,11-14H2,1-3H3,(H,23,24) |
| InChI Key | VJMTYCCYJDVUDN-UHFFFAOYSA-N |
| MDL Number | MFCD12408083 |
| Molecular Formula | C21H25NO4 |
| Molecular Weight | 355.4275 |
| SMILES | O=C(N1CCC(CC1)(C(=O)O)c1cccc2c1cccc2)OC(C)(C)C |
| Synonyms | 1198287-04-5,
Boc-4-(naphthalen-1-yl)-piperidine-4-carboxylic acid,
1-(tert-Butoxycarbonyl)-4-(naphthalen-1-yl)piperidine-4-carboxylic acid,
6248AH,
MFCD12408083,
ZINC44122496,
C21H25NO4,
|
| Complexity | 531 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 355.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 355.434g/mol |
| Monoisotopic Mass | 355.178g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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Certificate of Analysis
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