| CAS Number | 1182071-21-1 |
| Catalog Number | AG0095I9(AGN-PC-0WCSKA) |
| Chemical Name | 1-(2-(3-bromophenoxy)ethyl)piperidin-4-ol |
| IUPAC Name | 1-[2-(3-bromophenoxy)ethyl]piperidin-4-ol |
| InChI | InChI=1S/C13H18BrNO2/c14-11-2-1-3-13(10-11)17-9-8-15-6-4-12(16)5-7-15/h1-3,10,12,16H,4-9H2 |
| InChI Key | SQZBAQZDHGURKC-UHFFFAOYSA-N |
| MDL Number | MFCD11964094 |
| Molecular Formula | C13H18BrNO2 |
| Molecular Weight | 300.1915 |
| SMILES | OC1CCN(CCOC2=CC(Br)=CC=C2)CC1 |
| Synonyms | 1-(2-(3-bromophenoxy)ethyl)piperidin-4-ol,
1182071-21-1,
1-[2-(3-bromophenoxy)ethyl]piperidin-4-ol,
MFCD11964094,
ZINC32185172,
AKOS008950408,
AM86363,
NE47709,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.196g/mol |
| Monoisotopic Mass | 299.052g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 32.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number