| CAS Number | 215434-37-0 |
| Catalog Number | AG01EUIS(AGN-PC-01XGB7) |
| Chemical Name | 2-(4-(5-(Trifluoromethyl)pyridin-2-yl)piperazin-1-yl)ethanol |
| IUPAC Name | 2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanol |
| InChI | InChI=1S/C12H16F3N3O/c13-12(14,15)10-1-2-11(16-9-10)18-5-3-17(4-6-18)7-8-19/h1-2,9,19H,3-8H2 |
| InChI Key | AWMALSJZVLRFNA-UHFFFAOYSA-N |
| MDL Number | MFCD00203918 |
| Molecular Formula | C12H16F3N3O |
| Molecular Weight | 275.2701 |
| SMILES | FC(C1=CC=C(N=C1)N1CCN(CCO)CC1)(F)F |
| Synonyms | 215434-37-0,
2-[4-[5-(Trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanol,
1-(2-hydroxyethyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine,
2-(4-(5-(Trifluoromethyl)pyridin-2-yl)piperazin-1-yl)ethanol,
2-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethanol,
2-(4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl)ethanol,
2-{4-[5-(trifluoromethyl)-2-pyridyl]piperazinyl}ethan-1-ol,
2-(4-(5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)ethan-1-ol,
2-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethan-1-ol,
CTK8A4955,
KS-00003SX2,
MFCD00203918,
SBB054849,
ZINC19735905,
AKOS008923438,
MCULE-5975909847,
TS-00937,
TR-048362,
ST50949854,
Y-9779,
F6610-4414,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.125g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.275g/mol |
| Monoisotopic Mass | 275.125g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number