| CAS Number | 794500-98-4 |
| Catalog Number | AG01C1S7(AGN-PC-009J9N) |
| Chemical Name | 4-[(3,5-Difluorophenyl)methyl]piperidine |
| IUPAC Name | 4-[(3,5-difluorophenyl)methyl]piperidine |
| InChI | InChI=1S/C12H15F2N/c13-11-6-10(7-12(14)8-11)5-9-1-3-15-4-2-9/h6-9,15H,1-5H2 |
| InChI Key | WWGCSCHVGGTGSM-UHFFFAOYSA-N |
| MDL Number | MFCD16308153 |
| Molecular Formula | C12H15F2N |
| Molecular Weight | 211.2510 |
| SMILES | FC1=CC(CC2CCNCC2)=CC(F)=C1 |
| Synonyms | 4-[(3,5-difluorophenyl)methyl]piperidine,
794500-98-4,
SCHEMBL16138420,
ZINC34567809,
AKOS012086528,
Z2238932842,
CID11459293,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.256g/mol |
| Monoisotopic Mass | 211.117g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number