| CAS Number | 1247704-00-2 |
| Catalog Number | AG01AH74 |
| Chemical Name | 1-[(2,6-Difluorophenyl)methyl]piperidin-3-amine |
| IUPAC Name | 1-[(2,6-difluorophenyl)methyl]piperidin-3-amine |
| InChI | InChI=1S/C12H16F2N2/c13-11-4-1-5-12(14)10(11)8-16-6-2-3-9(15)7-16/h1,4-5,9H,2-3,6-8,15H2 |
| InChI Key | QSQNAXKHJLRDOC-UHFFFAOYSA-N |
| MDL Number | MFCD14617540 |
| Molecular Formula | C12H16F2N2 |
| Molecular Weight | 226.2656 |
| SMILES | NC1CN(CC2=C(F)C=CC=C2F)CCC1 |
| Synonyms | 1-[(2,6-difluorophenyl)methyl]piperidin-3-amine,
1247704-00-2,
AKOS008146730,
MCULE-1438345394,
NE36846,
EN300-73878,
Z1267773641,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.128g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.271g/mol |
| Monoisotopic Mass | 226.128g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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