| CAS Number | 193357-87-8 |
| Catalog Number | AG01C1YQ(AGN-PC-0IQCB5) |
| Chemical Name | 4-[(2,6-Difluorophenyl)methyl]piperidine hydrochloride |
| IUPAC Name | 4-[(2,6-difluorophenyl)methyl]piperidine;hydrochloride |
| InChI | InChI=1S/C12H15F2N.ClH/c13-11-2-1-3-12(14)10(11)8-9-4-6-15-7-5-9;/h1-3,9,15H,4-8H2;1H |
| InChI Key | VYJLXMCNUZFCGY-UHFFFAOYSA-N |
| MDL Number | MFCD29047503 |
| Molecular Formula | C12H16ClF2N |
| Molecular Weight | 247.7119 |
| SMILES | Cl.FC1=C(CC2CCNCC2)C(F)=CC=C1 |
| Synonyms | 4-[(2,6-difluorophenyl)methyl]piperidine hydrochloride,
193357-87-8,
SCHEMBL7404020,
VYJLXMCNUZFCGY-UHFFFAOYSA-N,
AKOS030757595,
4-(2,6-difluorobenzyl)piperidine hydrochloride,
Z2301438433,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.714g/mol |
| Monoisotopic Mass | 247.094g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number