| CAS Number | 553630-96-9 |
| Catalog Number | AG00DPPB |
| Chemical Name | tert-butyl 4-hydroxy-4-(2-methylphenyl)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-hydroxy-4-(2-methylphenyl)piperidine-1-carboxylate |
| InChI | InChI=1S/C17H25NO3/c1-13-7-5-6-8-14(13)17(20)9-11-18(12-10-17)15(19)21-16(2,3)4/h5-8,20H,9-12H2,1-4H3 |
| InChI Key | AQIBWZZQWKTCOL-UHFFFAOYSA-N |
| MDL Number | MFCD11849843 |
| Molecular Formula | C17H25NO3 |
| Molecular Weight | 291.3853 |
| SMILES | CC1=C(C2(CCN(C(OC(C)(C)C)=O)CC2)O)C=CC=C1 |
| Synonyms | 553630-96-9,
1-BOC-4-(2-METHYLPHENYL)-4-HYDROXYPIPERIDINE,
4-Hydroxy-4-o-tolylpiperidine-1-carboxylic acid tert-butyl ester,
tert-butyl 4-hydroxy-4-(2-methylphenyl)piperidine-1-carboxylate,
SCHEMBL3249913,
DTXSID50678137,
AQIBWZZQWKTCOL-UHFFFAOYSA-N,
CS-D1241,
ZINC79033286,
AKOS033380171,
Z1497159617,
tert-butyl 4-hydroxy-4-(o-tolyl)piperidine-1-carboxylate,
|
| Complexity | 367 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.183g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.391g/mol |
| Monoisotopic Mass | 291.183g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number