| CAS Number | 1172356-91-0 |
| Catalog Number | AG008SMB |
| Chemical Name | 2-(3-Fluoro-benzyl)-piperidine hydrochloride |
| IUPAC Name | 2-[(3-fluorophenyl)methyl]piperidine;hydrochloride |
| InChI | InChI=1S/C12H16FN.ClH/c13-11-5-3-4-10(8-11)9-12-6-1-2-7-14-12;/h3-5,8,12,14H,1-2,6-7,9H2;1H |
| InChI Key | AUBNCLBEYQVQFB-UHFFFAOYSA-N |
| MDL Number | MFCD08669731 |
| Molecular Formula | C12H17ClFN |
| Molecular Weight | 229.7215 |
| SMILES | Fc1cccc(c1)CC1CCCCN1.Cl |
| Synonyms | 2-(3-Fluoro-benzyl)-piperidine hydrochloride,
1172356-91-0,
2-(3-Fluorobenzyl)piperidine hydrochloride,
DTXSID30588841,
BP071,
MFCD08669731,
AB46066,
PC404534,
T6219,
2-[(3-Fluorophenyl)methyl]piperidine--hydrogen chloride (1/1),
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.723g/mol |
| Monoisotopic Mass | 229.103g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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