| CAS Number | 474396-94-6 |
| Catalog Number | AG019EWW(AGN-PC-0WCN0E) |
| Chemical Name | 1-Benzyl-4-(2-hydroxyphenyl)piperidin-4-ol |
| IUPAC Name | 1-benzyl-4-(2-hydroxyphenyl)piperidin-4-ol |
| InChI | InChI=1S/C18H21NO2/c20-17-9-5-4-8-16(17)18(21)10-12-19(13-11-18)14-15-6-2-1-3-7-15/h1-9,20-21H,10-14H2 |
| InChI Key | YYEPYDZORNOKCQ-UHFFFAOYSA-N |
| MDL Number | MFCD28952788 |
| Molecular Formula | C18H21NO2 |
| Molecular Weight | 283.3648 |
| SMILES | Oc1ccccc1C1(O)CCN(Cc2ccccc2)CC1 |
| Synonyms | 1-benzyl-4-(2-hydroxyphenyl)piperidin-4-ol,
474396-94-6,
SCHEMBL6911078,
MFCD28952788,
ZINC165857916,
FCH4182824,
CS-0036024,
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| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.157g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.371g/mol |
| Monoisotopic Mass | 283.157g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number