| CAS Number | 1260651-12-4 |
| Catalog Number | AG01EH9A |
| Chemical Name | [1-(2-Methyl-4-nitrophenyl)piperidin-4-yl]methanol |
| IUPAC Name | [1-(2-methyl-4-nitrophenyl)piperidin-4-yl]methanol |
| InChI | InChI=1S/C13H18N2O3/c1-10-8-12(15(17)18)2-3-13(10)14-6-4-11(9-16)5-7-14/h2-3,8,11,16H,4-7,9H2,1H3 |
| InChI Key | BGUYFXIKJGHKQS-UHFFFAOYSA-N |
| MDL Number | MFCD11039630 |
| Molecular Formula | C13H18N2O3 |
| Molecular Weight | 250.2936 |
| SMILES | OCC1CCN(CC1)c1ccc(cc1C)[N+](=O)[O-] |
| Synonyms | [1-(2-methyl-4-nitrophenyl)piperidin-4-yl]methanol,
1260651-12-4,
AKOS010387549,
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| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.298g/mol |
| Monoisotopic Mass | 250.132g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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