| CAS Number | 28033-33-2 |
| Catalog Number | AG00CEME(AGN-PC-0R3MMJ) |
| Chemical Name | 4-(3-(Trifluoromethyl)phenoxy)piperidine hydrochloride |
| IUPAC Name | 4-[3-(trifluoromethyl)phenoxy]piperidine;hydrochloride |
| InChI | InChI=1S/C12H14F3NO.ClH/c13-12(14,15)9-2-1-3-11(8-9)17-10-4-6-16-7-5-10;/h1-3,8,10,16H,4-7H2;1H |
| InChI Key | UCMHLADZICGHSS-UHFFFAOYSA-N |
| MDL Number | MFCD08544115 |
| Molecular Formula | C12H15ClF3NO |
| Molecular Weight | 281.7018 |
| SMILES | C(F)(F)(F)C1=CC=CC(OC2CCNCC2)=C1.Cl |
| Synonyms | 28033-33-2,
4-[3-(Trifluoromethyl)phenoxy]piperidine hydrochloride,
4-(3-(Trifluoromethyl)phenoxy)piperidine hydrochloride,
4-(3-trifluoromethyl-phenoxy)-piperidine hydrochloride,
SCHEMBL69186,
CTK7B6842,
DTXSID60673794,
UCMHLADZICGHSS-UHFFFAOYSA-N,
ZX-CM014595,
MFCD08544115,
AKOS015849034,
TR-047416,
4-(3-trifluoromethylphenoxy)piperidine hydrochloride,
4-[3-(Trifluoromethyl)phenoxy]piperidine--hydrogen chloride (1/1),
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.703g/mol |
| Monoisotopic Mass | 281.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number