| CAS Number | 931410-04-7 |
| Catalog Number | AG01ARKY |
| Chemical Name | tert-butyl 4-[(3-bromophenyl)methoxy]piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-[(3-bromophenyl)methoxy]piperidine-1-carboxylate |
| InChI | InChI=1S/C17H24BrNO3/c1-17(2,3)22-16(20)19-9-7-15(8-10-19)21-12-13-5-4-6-14(18)11-13/h4-6,11,15H,7-10,12H2,1-3H3 |
| InChI Key | GZPJTPZZFYHJNZ-UHFFFAOYSA-N |
| MDL Number | MFCD11874661 |
| Molecular Formula | C17H24BrNO3 |
| Molecular Weight | 370.2814 |
| SMILES | CC(OC(N1CCC(OCC2=CC(Br)=CC=C2)CC1)=O)(C)C |
| Synonyms | 931410-04-7,
tert-Butyl 4-((3-bromobenzyl)oxy)piperidine-1-carboxylate,
tert-butyl 4-[(3-bromobenzyl)oxy]piperidine-1-carboxylate,
SCHEMBL14851987,
GZPJTPZZFYHJNZ-UHFFFAOYSA-N,
ZINC43830451,
AKOS015957524,
F2158-1453,
tert-butyl 4-[(3-bromophenyl)methoxy]piperidine-1-carboxylate,
|
| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 369.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 370.287g/mol |
| Monoisotopic Mass | 369.094g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number