| CAS Number | 625454-25-3 |
| Catalog Number | AG00EBDL(AGN-PC-05T2MU) |
| Chemical Name | 3-(3-Trifluoromethyl-benzyl)-piperidine |
| IUPAC Name | 3-[[3-(trifluoromethyl)phenyl]methyl]piperidine |
| InChI | InChI=1S/C13H16F3N/c14-13(15,16)12-5-1-3-10(8-12)7-11-4-2-6-17-9-11/h1,3,5,8,11,17H,2,4,6-7,9H2 |
| InChI Key | NBJMMSXTOSDULN-UHFFFAOYSA-N |
| MDL Number | MFCD05863603 |
| Molecular Formula | C13H16F3N |
| Molecular Weight | 243.2680 |
| SMILES | FC(C1=CC(CC2CNCCC2)=CC=C1)(F)F |
| Synonyms | 3-(3-Trifluoromethyl-benzyl)-piperidine,
625454-25-3,
CTK5B5278,
DTXSID60457031,
BP049,
MFCD05863603,
3-(3-Trifluoromethylbenzyl)piperidine,
AKOS012084169,
AB22610,
IMED1020860905,
3-[3-(Trifluoromethyl)benzyl]piperidine,
PC404527,
FT-0752696,
T6587,
CID11150178,
3-[[3-(trifluoromethyl)phenyl]methyl]piperidine,
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| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.123g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.273g/mol |
| Monoisotopic Mass | 243.123g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number