| CAS Number | 1951451-49-2 |
| Catalog Number | AG00I3D3(AGN-PC-0WQZWP) |
| Chemical Name | (3Z)-3-{[4-(Dimethylamino)phenyl](hydroxy)methylidene}-1-[(4-methoxyphenyl)methyl]piperidin-2-one |
| IUPAC Name | (3Z)-3-[[4-(dimethylamino)phenyl]-hydroxymethylidene]-1-[(4-methoxyphenyl)methyl]piperidin-2-one |
| InChI | InChI=1S/C22H26N2O3/c1-23(2)18-10-8-17(9-11-18)21(25)20-5-4-14-24(22(20)26)15-16-6-12-19(27-3)13-7-16/h6-13,25H,4-5,14-15H2,1-3H3/b21-20- |
| InChI Key | HVQGKAHYNAKOCA-MRCUWXFGSA-N |
| MDL Number | MFCD29917487 |
| Molecular Formula | C22H26N2O3 |
| Molecular Weight | 366.4534 |
| SMILES | COc1ccc(cc1)CN1CCC/C(=C(c2ccc(cc2)N(C)C)/O)/C1=O |
| Synonyms | (3Z)-3-{[4-(Dimethylamino)phenyl](hydroxy)methylidene}-1-[(4-methoxyphenyl)methyl]piperidin-2-one,
1951451-49-2,
|
| Complexity | 530 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 366.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 366.461g/mol |
| Monoisotopic Mass | 366.194g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 53A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
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