| CAS Number | 64321-45-5 |
| Catalog Number | AG01BA2O(AGN-PC-07A899) |
| Chemical Name | 3-[3-(Trifluoromethyl)phenyl]piperidine |
| IUPAC Name | 3-[3-(trifluoromethyl)phenyl]piperidine |
| InChI | InChI=1S/C12H14F3N/c13-12(14,15)11-5-1-3-9(7-11)10-4-2-6-16-8-10/h1,3,5,7,10,16H,2,4,6,8H2 |
| InChI Key | NAAXALWMZKHEHY-UHFFFAOYSA-N |
| MDL Number | MFCD11047439 |
| Molecular Formula | C12H14F3N |
| Molecular Weight | 229.2415 |
| SMILES | FC(C1=CC(C2CNCCC2)=CC=C1)(F)F |
| Synonyms | 3-[3-(trifluoromethyl)phenyl]piperidine,
64321-45-5,
3-(3-(trifluoromethyl)phenyl)piperidine,
AC1MINL5,
Piperidine, 3-[3-(trifluoromethyl)phenyl]-,
SCHEMBL3693533,
NAAXALWMZKHEHY-UHFFFAOYSA-N,
3-(m-trifluoromethylphenyl)-piperidine,
AKOS013783349,
3-(3-trifluoromethylphenyl) piperidine,
SB15348,
3-(5-(trifluoromethyl)phenyl)piperidine,
CID3049031,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.246g/mol |
| Monoisotopic Mass | 229.108g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number