| CAS Number | 681482-00-8 |
| Catalog Number | AG01A5TV |
| Chemical Name | 1-([4-(Trifluoromethoxy)phenyl]methyl)piperidin-4-ol |
| IUPAC Name | 1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol |
| InChI | InChI=1S/C13H16F3NO2/c14-13(15,16)19-12-3-1-10(2-4-12)9-17-7-5-11(18)6-8-17/h1-4,11,18H,5-9H2 |
| InChI Key | YWCISANRKJWTHG-UHFFFAOYSA-N |
| MDL Number | MFCD15485328 |
| Molecular Formula | C13H16F3NO2 |
| Molecular Weight | 275.2668 |
| SMILES | OC1CCN(CC2=CC=C(OC(F)(F)F)C=C2)CC1 |
| Synonyms | 1-{[4-(trifluoromethoxy)phenyl]methyl}piperidin-4-ol,
681482-00-8,
SCHEMBL5542857,
YWCISANRKJWTHG-UHFFFAOYSA-N,
ZINC43585567,
AKOS009153923,
MCULE-2652044905,
NE49972,
1-(4-trifluoromethoxybenzyl)piperidin-4-ol,
A1-09459,
Z286188382,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.271g/mol |
| Monoisotopic Mass | 275.113g/mol |
| Rotatable Bond Count | 3 |
| 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