| CAS Number | 614731-30-5 |
| Catalog Number | AG00EB8E(AGN-PC-03MS2R) |
| Chemical Name | 3-((2-Fluorophenoxy)methyl)piperidine hydrochloride |
| IUPAC Name | 3-[(2-fluorophenoxy)methyl]piperidine;hydrochloride |
| InChI | InChI=1S/C12H16FNO.ClH/c13-11-5-1-2-6-12(11)15-9-10-4-3-7-14-8-10;/h1-2,5-6,10,14H,3-4,7-9H2;1H |
| InChI Key | BKXBZNRNWKQKFO-UHFFFAOYSA-N |
| MDL Number | MFCD08445757 |
| Molecular Formula | C12H17ClFNO |
| Molecular Weight | 245.7209 |
| SMILES | c1ccc(c(c1)OCC2CCCNC2)F.Cl |
| Synonyms | 614731-30-5,
3-[(2-Fluorophenoxy)methyl]piperidinehydrochloride,
3-((2-Fluorophenoxy)methyl)piperidine hydrochloride,
3-[(2-Fluorophenoxy)methyl]piperidine hydrochloride,
3-(2-fluorophenoxymethyl)piperidine hydrochloride,
3-(2-Fluoro-phenoxymethyl)piperidine hydrochloride,
SCHEMBL1475719,
CTK7C2595,
3-(2-FLUORO-PHENOXYMETHYL)-PIPERIDINE HYDROCHLORIDE,
DTXSID40623838,
6723AE,
AKOS015849658,
3-[(2-Fluorophenoxy)methyl]piperidine HCl,
TR-042967,
3-[(2-Fluorophenoxy)methyl]piperidine--hydrogen chloride (1/1),
C12H17ClFNO,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.722g/mol |
| Monoisotopic Mass | 245.098g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number