| CAS Number | 614731-44-1 |
| Catalog Number | AG00EVX2(AGN-PC-01D395) |
| Chemical Name | 4-[(4-Fluorophenoxy)methyl]piperidine Hydrochloric Acid Salt |
| IUPAC Name | 4-[(4-fluorophenoxy)methyl]piperidine;hydrochloride |
| InChI | InChI=1S/C12H16FNO.ClH/c13-11-1-3-12(4-2-11)15-9-10-5-7-14-8-6-10;/h1-4,10,14H,5-9H2;1H |
| InChI Key | DNWBPFYWQAZTII-UHFFFAOYSA-N |
| MDL Number | MFCD09064905 |
| Molecular Formula | C12H17ClFNO |
| Molecular Weight | 245.7209 |
| SMILES | C1CNCCC1COC2=CC=C(C=C2)F.Cl |
| Synonyms | 4-[(4-Fluorophenoxy)methyl]piperidine hydrochloride,
614731-44-1,
4-[(4-Fluorophenoxy)methyl]piperidinehydrochloride,
ARONIS014219,
SCHEMBL1476773,
CTK7C1047,
DTXSID70589392,
DNWBPFYWQAZTII-UHFFFAOYSA-N,
KS-000044PI,
6729AE,
AKOS005111343,
MCULE-3848941979,
BB0291111,
TR-043005,
ST45050916,
4-(4-fluorophenoxymethyl)piperidine hydrochloride,
1-fluoro-4-(4-piperidylmethoxy)benzene, chloride,
4-[(4-Fluorophenoxy)methyl]piperidine--hydrogen chloride (1/1),
C12H17ClFNO,
|
| Complexity | 175 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number