| CAS Number | 1211489-57-4 |
| Catalog Number | AG01C02A |
| Chemical Name | 3-chloro-2,2-dimethyl-1-(4-phenylpiperazin-1-yl)propan-1-one |
| IUPAC Name | 3-chloro-2,2-dimethyl-1-(4-phenylpiperazin-1-yl)propan-1-one |
| InChI | InChI=1S/C15H21ClN2O/c1-15(2,12-16)14(19)18-10-8-17(9-11-18)13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3 |
| InChI Key | JOJNDTLODDHZQV-UHFFFAOYSA-N |
| MDL Number | MFCD15203192 |
| Molecular Formula | C15H21ClN2O |
| Molecular Weight | 280.7930 |
| SMILES | CC(C(N1CCN(C2=CC=CC=C2)CC1)=O)(CCl)C |
| Synonyms | 3-chloro-2,2-dimethyl-1-(4-phenylpiperazin-1-yl)propan-1-one,
1211489-57-4,
ZINC20203029,
AKOS006268240,
Z2684375608,
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.134g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.796g/mol |
| Monoisotopic Mass | 280.134g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 23.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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