| CAS Number | 1476776-55-2 |
| Catalog Number | AG00ATH4(AGN-PC-0WCKP4) |
| Chemical Name | tert-butyl (S)-3-(4-bromophenyl)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl (3S)-3-(4-bromophenyl)piperidine-1-carboxylate |
| InChI | InChI=1S/C16H22BrNO2/c1-16(2,3)20-15(19)18-10-4-5-13(11-18)12-6-8-14(17)9-7-12/h6-9,13H,4-5,10-11H2,1-3H3/t13-/m1/s1 |
| InChI Key | WRSHWNCUNYWQBB-CYBMUJFWSA-N |
| MDL Number | MFCD27987933 |
| Molecular Formula | C16H22BrNO2 |
| Molecular Weight | 340.2554 |
| SMILES | Brc1ccc(cc1)[C@@H]1CCCN(C1)C(=O)OC(C)(C)C |
| Synonyms | 1476776-55-2,
tert-Butyl (3s)-3-(4-bromophenyl)-piperidine-1-carboxylate,
(S)-tert-butyl 3-(4-bromophenyl)piperidine-1-carboxylate,
Tert-butyl (S)-3-(4-bromophenyl)piperidine-1-carboxylate,
TERT-BUTYL (3S)-3-(4-BROMOPHENYL)PIPERIDINE-1-CARBOXYLATE,
SCHEMBL18557979,
KS-00000T8I,
MFCD27987933,
ZINC65731434,
SB16772,
DS-10037,
AJ-115569,
CS-0038426,
t-Butyl (3S)-3-(4-bromophenyl)-piperidine-1-carboxylate,
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| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 340.261g/mol |
| Monoisotopic Mass | 339.083g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
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