| CAS Number | 1820575-88-9 |
| Catalog Number | AG00I0DY(AGN-PC-0WQZ5A) |
| Chemical Name | rac-[(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methanamine |
| IUPAC Name | [(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methanamine |
| InChI | InChI=1S/C15H24N2O/c1-12-4-3-9-17(15(12)10-16)11-13-5-7-14(18-2)8-6-13/h5-8,12,15H,3-4,9-11,16H2,1-2H3/t12-,15-/m1/s1 |
| InChI Key | LHVVGCIKOHNHPF-IUODEOHRSA-N |
| MDL Number | MFCD28397253 |
| Molecular Formula | C15H24N2O |
| Molecular Weight | 248.3639 |
| SMILES | NC[C@@H]1[C@H](C)CCCN1Cc1ccc(cc1)OC |
| Synonyms | rac-[(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methanamine,
1820575-88-9,
SCHEMBL15173948,
LHVVGCIKOHNHPF-IUODEOHRSA-N,
ZINC70984174,
rac-((2S,3R)-1-(4-methoxybenzyl)-3-methylpiperidin-2-yl)methanamine,
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| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.189g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.37g/mol |
| Monoisotopic Mass | 248.189g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number