| CAS Number | 630119-99-2 |
| Catalog Number | AG019F1H |
| Chemical Name | 1-PIPERIDINECARBOXYLIC ACID, 4-HYDROXY-4-(2-THIENYL)-, 1,1-DIMETHYLETHYL ESTER |
| IUPAC Name | tert-butyl 4-hydroxy-4-thiophen-2-ylpiperidine-1-carboxylate |
| InChI | InChI=1S/C14H21NO3S/c1-13(2,3)18-12(16)15-8-6-14(17,7-9-15)11-5-4-10-19-11/h4-5,10,17H,6-9H2,1-3H3 |
| InChI Key | LWEUZOXYUOEMQN-UHFFFAOYSA-N |
| MDL Number | MFCD30294433 |
| Molecular Formula | C14H21NO3S |
| Molecular Weight | 283.3864 |
| SMILES | OC1(CCN(CC1)C(=O)OC(C)(C)C)C=1SC=CC1 |
| Synonyms | 630119-99-2,
tert-butyl 4-hydroxy-4-(thiophen-2-yl)piperidine-1-carboxylate,
1-PIPERIDINECARBOXYLIC ACID, 4-HYDROXY-4-(2-THIENYL)-, 1,1-DIMETHYLETHYL ESTER,
SCHEMBL986690,
LWEUZOXYUOEMQN-UHFFFAOYSA-N,
MFCD30294433,
CS-0062172,
t-Butyl 4-hydroxy-4-(thiophen-2-yl)piperidine-1-carboxylate,
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| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.386g/mol |
| Monoisotopic Mass | 283.124g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number