| CAS Number | 794500-99-5 |
| Catalog Number | AG005JM0(AGN-PC-0WQXEO) |
| Chemical Name | 4-(3-Methoxy-5-trifluoromethyl-benzyl)-piperidine |
| IUPAC Name | 4-[[3-methoxy-5-(trifluoromethyl)phenyl]methyl]piperidine |
| InChI | InChI=1S/C14H18F3NO/c1-19-13-8-11(6-10-2-4-18-5-3-10)7-12(9-13)14(15,16)17/h7-10,18H,2-6H2,1H3 |
| InChI Key | KQSOTECPELWSHB-UHFFFAOYSA-N |
| MDL Number | MFCD05863576 |
| Molecular Formula | C14H18F3NO |
| Molecular Weight | 273.2940 |
| SMILES | COc1cc(CC2CCNCC2)cc(c1)C(F)(F)F |
| Synonyms | 4-(3-Methoxy-5-trifluoromethyl-benzyl)-piperidine,
794500-99-5,
AC1Q48DL,
CTK5E6837,
4-[[3-methoxy-5-(trifluoromethyl)phenyl]methyl]piperidine,
DTXSID10464538,
BP013,
ZINC2555441,
MFCD05863576,
AB22541,
PC404517,
RT-009169,
T6669,
4-(3-Methoxy-5-trifluoromethylbenzyl)piperidine,
CID11392734,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.134g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.299g/mol |
| Monoisotopic Mass | 273.134g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number