| CAS Number | 951259-22-6 |
| Catalog Number | AG019EU0 |
| Chemical Name | 1,1-Dimethylethyl 4-(5-bromo-2-thienyl)-1-piperidinecarboxylate |
| IUPAC Name | tert-butyl 4-(5-bromothiophen-2-yl)piperidine-1-carboxylate |
| InChI | InChI=1S/C14H20BrNO2S/c1-14(2,3)18-13(17)16-8-6-10(7-9-16)11-4-5-12(15)19-11/h4-5,10H,6-9H2,1-3H3 |
| InChI Key | QVNIZQOHTHARMD-UHFFFAOYSA-N |
| MDL Number | MFCD28054531 |
| Molecular Formula | C14H20BrNO2S |
| Molecular Weight | 346.2831 |
| SMILES | O=C(OC(C)(C)C)N1CCC(C=2SC(Br)=CC2)CC1 |
| Synonyms | 951259-22-6,
tert-butyl 4-(5-bromothiophen-2-yl)piperidine-1-carboxylate,
1-Piperidinecarboxylic acid, 4-(5-bromo-2-thienyl)-, 1,1-dimethylethyl ester,
SCHEMBL11946809,
QVNIZQOHTHARMD-UHFFFAOYSA-N,
MFCD28054531,
2-Bromo-5-(N-Boc-piperidin-4-yl)thiophene,
CS-0059685,
t-Butyl 4-(5-bromothiophen-2-yl)piperidine-1-carboxylate,
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| Complexity | 324 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number