| CAS Number | 955287-76-0 |
| Catalog Number | AG006CND(AGN-PC-01A9BW) |
| Chemical Name | 4-(4-Fluoro-2-methyl-benzyl)-piperidine |
| IUPAC Name | 4-[(4-fluoro-2-methylphenyl)methyl]piperidine |
| InChI | InChI=1S/C13H18FN/c1-10-8-13(14)3-2-12(10)9-11-4-6-15-7-5-11/h2-3,8,11,15H,4-7,9H2,1H3 |
| InChI Key | SQUYQGJDAZQSAI-UHFFFAOYSA-N |
| MDL Number | MFCD05863584 |
| Molecular Formula | C13H18FN |
| Molecular Weight | 207.2871 |
| SMILES | CC1=C(CC2CCNCC2)C=CC(F)=C1 |
| Synonyms | 4-(4-Fluoro-2-methyl-benzyl)-piperidine,
955287-76-0,
CTK5H7799,
DTXSID80588790,
ZINC2555449,
MFCD05863584,
AKOS012084352,
4-(4-fluoro-2-methylbenzyl)piperidine,
AB22564,
PC404521,
RT-009200,
T6845,
4-[(4-FLUORO-2-METHYLPHENYL)METHYL]PIPERIDINE,
4- -PIPERIDINE,
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| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.292g/mol |
| Monoisotopic Mass | 207.142g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number