| CAS Number | 54969-37-8 |
| Catalog Number | AG00DT7X(AGN-PC-02VQOQ) |
| Chemical Name | 1-(1,4-Dimethylpiperazin-2-yl)ethanone |
| IUPAC Name | 1-(1,4-dimethylpiperazin-2-yl)ethanone |
| InChI | InChI=1S/C8H16N2O/c1-7(11)8-6-9(2)4-5-10(8)3/h8H,4-6H2,1-3H3 |
| InChI Key | OVUPHWFDBFNPKJ-UHFFFAOYSA-N |
| MDL Number | MFCD18971733 |
| Molecular Formula | C8H16N2O |
| Molecular Weight | 156.2254 |
| SMILES | CN1CC(C(C)=O)N(C)CC1 |
| Synonyms | 54969-37-8,
1-(1,4-Dimethylpiperazin-2-yl)ethanone,
SCHEMBL12108450,
AKOS017504470,
1-(1,4-dimethylpiperazin-2-yl)ethan-1-one,
Ethanone, 1-(1,4-dimethyl-2-piperazinyl)-,
Ethanone, 1-(1,4-dimethyl-2-piperazinyl)-,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.229g/mol |
| Monoisotopic Mass | 156.126g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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