| CAS Number | 871112-35-5 |
| Catalog Number | AG01AFYS(AGN-PC-0VATKP) |
| Chemical Name | tert-Butyl 4-hydroxy-4-(3-methoxyphenyl)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-hydroxy-4-(3-methoxyphenyl)piperidine-1-carboxylate |
| InChI | InChI=1S/C17H25NO4/c1-16(2,3)22-15(19)18-10-8-17(20,9-11-18)13-6-5-7-14(12-13)21-4/h5-7,12,20H,8-11H2,1-4H3 |
| InChI Key | WYAWTKRZLYEDEC-UHFFFAOYSA-N |
| MDL Number | MFCD11849838 |
| Molecular Formula | C17H25NO4 |
| Molecular Weight | 307.3847 |
| SMILES | COC1=CC(C2(CCN(C(OC(C)(C)C)=O)CC2)O)=CC=C1 |
| Synonyms | 871112-35-5,
1-BOC-4-(3-METHOXYPHENYL)-4-HYDROXYPIPERIDINE,
tert-butyl 4-hydroxy-4-(3-methoxyphenyl)piperidine-1-carboxylate,
SCHEMBL5240524,
DTXSID60678143,
WYAWTKRZLYEDEC-UHFFFAOYSA-N,
ZINC79033256,
AKOS033714902,
Z1983079458,
|
| Complexity | 383 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.39g/mol |
| Monoisotopic Mass | 307.178g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number