| CAS Number | 1622834-60-9 |
| Catalog Number | AG00IMPF(AGN-PC-0WR8VG) |
| Chemical Name | 1-Piperidinecarboxylic acid, 3-(5-bromo-2-thienyl)-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 3-(5-bromothiophen-2-yl)piperidine-1-carboxylate |
| InChI | InChI=1S/C14H20BrNO2S/c1-14(2,3)18-13(17)16-8-4-5-10(9-16)11-6-7-12(15)19-11/h6-7,10H,4-5,8-9H2,1-3H3 |
| InChI Key | XRYNOGWXAPZUGZ-UHFFFAOYSA-N |
| MDL Number | MFCD28055148 |
| Molecular Formula | C14H20BrNO2S |
| Molecular Weight | 346.2831 |
| SMILES | BrC1=CC=C(S1)C1CN(CCC1)C(=O)OC(C)(C)C |
| Synonyms | 2-Bromo-5-(N-Boc-piperidin-3-yl)thiophene,
1-Piperidinecarboxylic acid, 3-(5-bromo-2-thienyl)-, 1,1-dimethylethyl ester,
1622834-60-9,
|
| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 345.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 346.283g/mol |
| Monoisotopic Mass | 345.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
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