1-(1,4-dimethylpiperazin-2-yl)-3-methylpentan-2-one

C12H24N2O — CID 115414648

IUPAC1-(1,4-dimethylpiperazin-2-yl)-3-methylpentan-2-one
SMILESCCC(C)C(=O)CC1CN(C)CCN1C
InChIInChI=1S/C12H24N2O/c1-5-10(2)12(15)8-11-9-13(3)6-7-14(11)4/h10-11H,5-9H2,1-4H3
InChIKeyJHEHYNJXLRHRNJ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.24
Rot. Bonds4

About 1-(1,4-dimethylpiperazin-2-yl)-3-methylpentan-2-one

1-(1,4-dimethylpiperazin-2-yl)-3-methylpentan-2-one (PubChem CID 115414648) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-3-methylpentan-2-one.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-3-methylpentan-2-one
PubChem CID115414648
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-3-methylpentan-2-one
SMILESCCC(C)C(=O)CC1CN(C)CCN1C
InChIInChI=1S/C12H24N2O/c1-5-10(2)12(15)8-11-9-13(3)6-7-14(11)4/h10-11H,5-9H2,1-4H3
InChIKeyJHEHYNJXLRHRNJ-UHFFFAOYSA-N
XLogP1.24
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(1,4-dimethylpiperazin-2-yl)acetate;dihydrochloride
CID 90485290
ethyl 3-[(1,4-dimethylpiperazin-2-yl)methylamino]-2-methylpropanoate
CID 63896899
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-pentan-3-ylacetamide
CID 63897251
1-cyclohexyl-2-(1,4-dimethylpiperazin-2-yl)ethanone
CID 115414611
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-hydroxy-2,3-dimethylbutanamide
CID 154789742
1-(1,4-dimethylpiperazin-2-yl)-3-ethylpentan-2-ol
CID 115414788
2-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]butanamide
CID 63898587
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-propylpropanamide
CID 63897621
1-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 115415048
2-(1,4-dimethylpiperazin-2-yl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone
CID 114197551
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 63898158
(2S)-2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]-3-methylbutanoic acid
CID 63898251

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-3-methylpentan-2-one?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-3-methylpentan-2-one (CID 115414648) is 1-(1,4-dimethylpiperazin-2-yl)-3-methylpentan-2-one.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-3-methylpentan-2-one?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-3-methylpentan-2-one is CCC(C)C(=O)CC1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-3-methylpentan-2-one?
The InChIKey is JHEHYNJXLRHRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-10(2)12(15)8-11-9-13(3)6-7-14(11)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-3-methylpentan-2-one?
1-(1,4-dimethylpiperazin-2-yl)-3-methylpentan-2-one has a molecular weight of 212.34 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-3-methylpentan-2-one is sourced from PubChem (CID 115414648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).