| CAS Number | 1050509-50-6 |
| Catalog Number | AG01DLER |
| Chemical Name | 3-[(4-Fluorophenoxy)methyl]piperidine hydrochloride |
| IUPAC Name | 3-[(4-fluorophenoxy)methyl]piperidine;hydrochloride |
| InChI | InChI=1S/C12H16FNO.ClH/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10;/h3-6,10,14H,1-2,7-9H2;1H |
| InChI Key | ZYQVCZQOHBWPNV-UHFFFAOYSA-N |
| MDL Number | MFCD08447193 |
| Molecular Formula | C12H17ClFNO |
| Molecular Weight | 245.7209 |
| SMILES | Cl.FC1=CC=C(OCC2CCCNC2)C=C1 |
| Synonyms | 3-[(4-Fluorophenoxy)methyl]piperidine hydrochloride,
3-((4-FLUOROPHENOXY)METHYL)PIPERIDINE HCL,
3-((4-Fluorophenoxy)methyl)piperidine hydrochloride,
1050509-50-6,
ARONIS013152,
SCHEMBL1768943,
CTK7C1046,
ZYQVCZQOHBWPNV-UHFFFAOYSA-N,
KS-000043VX,
MFCD08447193,
AKOS005111317,
AS-53735,
TR-043004,
ST45049863,
3-(4-fluorophenoxymethyl)piperidine hydrochloride,
4-fluoro-1-(3-piperidylmethoxy)benzene, chloride,
3-(4-FLUORO-PHENOXYMETHYL)-PIPERIDINEHYDROCHLORIDE,
142220-38-0,
|
| Complexity | 181 |
| 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