| CAS Number | 1956309-34-4 |
| Catalog Number | AG01DJ3K(AGN-PC-0JEJUT) |
| Chemical Name | 2-(4-Chlorophenyl)-2-(piperidin-1-yl)acetic acid hydrochloride |
| IUPAC Name | 2-(4-chlorophenyl)-2-piperidin-1-ylacetic acid;hydrochloride |
| InChI | InChI=1S/C13H16ClNO2.ClH/c14-11-6-4-10(5-7-11)12(13(16)17)15-8-2-1-3-9-15;/h4-7,12H,1-3,8-9H2,(H,16,17);1H |
| InChI Key | MAXOOJPISORWLJ-UHFFFAOYSA-N |
| MDL Number | MFCD08543724 |
| Molecular Formula | C13H17Cl2NO2 |
| Molecular Weight | 290.1856 |
| SMILES | OC(=O)C(c1ccc(cc1)Cl)N1CCCCC1.Cl |
| Synonyms | 2-(4-CHLOROPHENYL)-2-(PIPERIDIN-1-YL)ACETIC ACID HCL,
1956309-34-4,
2-(4-Chlorophenyl)-2-(piperidin-1-yl)acetic acid hydrochloride,
CTK8E0979,
MFCD08543724,
(4-chlorophenyl)piperidin-1-ylacetic acid hydrochloride,
(4-Chloro-phenyl)-piperidin-1-yl-aceticacid hydrochloride,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.184g/mol |
| Monoisotopic Mass | 289.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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