| CAS Number | 1373029-08-3 |
| Catalog Number | AG019EM8(AGN-PC-0WG3S4) |
| Chemical Name | 2-(3-(Piperidin-4-ylmethyl)phenoxy)-5-(trifluoromethyl)pyridine hydrochloride |
| IUPAC Name | 2-[3-(piperidin-4-ylmethyl)phenoxy]-5-(trifluoromethyl)pyridine;hydrochloride |
| InChI | InChI=1S/C18H19F3N2O.ClH/c19-18(20,21)15-4-5-17(23-12-15)24-16-3-1-2-14(11-16)10-13-6-8-22-9-7-13;/h1-5,11-13,22H,6-10H2;1H |
| InChI Key | FDVNSVQNVJULMC-UHFFFAOYSA-N |
| MDL Number | MFCD23726523 |
| Molecular Formula | C18H20ClF3N2O |
| Molecular Weight | 372.8124 |
| SMILES | FC(c1ccc(nc1)Oc1cccc(c1)CC1CCNCC1)(F)F.Cl |
| Synonyms | 1373029-08-3,
2-(3-Piperidin-4-ylmethyl-phenoxy)-5-trifluoromethyl-pyridine HCl,
2-(3-(Piperidin-4-ylmethyl)phenoxy)-5-(trifluoromethyl)pyridine hydrochloride,
2-(3-Piperidin-4-ylmethyl-phenoxy)-5-trifluoromethyl-pyridine hydrochloride,
MFCD23726523,
AM804751,
CS-0038926,
2-[3-(piperidin-4-ylmethyl)phenoxy]-5-(trifluoromethyl)pyridine;hydrochloride,
2-[3-(piperidin-4-ylmethyl)phenoxy]-5-(trifluoromethyl)pyridinehydrochloride,
|
| Complexity | 385 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 372.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 372.816g/mol |
| Monoisotopic Mass | 372.122g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 34.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number