1-(3,5-dimethylpiperazin-2-yl)-2,2-dimethylpropan-1-one

C11H22N2O — CID 176834143

IUPAC1-(3,5-dimethylpiperazin-2-yl)-2,2-dimethylpropan-1-one
SMILESCC1CNC(C(=O)C(C)(C)C)C(C)N1
InChIInChI=1S/C11H22N2O/c1-7-6-12-9(8(2)13-7)10(14)11(3,4)5/h7-9,12-13H,6H2,1-5H3
InChIKeyHZNSWHWVRVCFKR-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.94
Rot. Bonds1

About 1-(3,5-dimethylpiperazin-2-yl)-2,2-dimethylpropan-1-one

1-(3,5-dimethylpiperazin-2-yl)-2,2-dimethylpropan-1-one (PubChem CID 176834143) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperazin-2-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(3,5-dimethylpiperazin-2-yl)-2,2-dimethylpropan-1-one
PubChem CID176834143
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(3,5-dimethylpiperazin-2-yl)-2,2-dimethylpropan-1-one
SMILESCC1CNC(C(=O)C(C)(C)C)C(C)N1
InChIInChI=1S/C11H22N2O/c1-7-6-12-9(8(2)13-7)10(14)11(3,4)5/h7-9,12-13H,6H2,1-5H3
InChIKeyHZNSWHWVRVCFKR-UHFFFAOYSA-N
XLogP0.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methyl-1,3-diazinan-4-yl)-2,2-dimethylpropan-1-one
CID 176832662
1-[5-(difluoromethyl)-3,6-dimethylpiperazin-2-yl]-2,2-dimethylpropan-1-one
CID 176833958
2,2-dimethyl-1-[3-methyl-5-(trifluoromethoxy)piperidin-2-yl]propan-1-one
CID 176834152
1-(3-chloro-5-isocyanopiperidin-2-yl)-2,2-dimethylpropan-1-one
CID 176834157
2,2-dimethyl-1-(3-methylpiperidin-2-yl)propan-1-one
CID 176832528
1-(5,6-dimethyldiazinan-4-yl)-2,2-dimethylpropan-1-one
CID 176833828
1-(4-chloro-3-methylpiperidin-2-yl)-2,2-dimethylpropan-1-one
CID 176833201
1-[3,6-dimethyl-5-(trifluoromethoxy)piperidin-2-yl]-2,2-dimethylpropan-1-one
CID 176833571
3,5-dimethyl-2-propylpiperazine
CID 131195713
(2S,4aR,6S,8aS)-2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydropyrazino[2,3-b]pyrazine
CID 23279569
(2R,6S)-2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydropyrazino[2,3-b]pyrazine
CID 23279031
3-methylazetidine-2-carboxylic acid
CID 22326246

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperazin-2-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(3,5-dimethylpiperazin-2-yl)-2,2-dimethylpropan-1-one (CID 176834143) is 1-(3,5-dimethylpiperazin-2-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(3,5-dimethylpiperazin-2-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(3,5-dimethylpiperazin-2-yl)-2,2-dimethylpropan-1-one is CC1CNC(C(=O)C(C)(C)C)C(C)N1.
What is the InChIKey of 1-(3,5-dimethylpiperazin-2-yl)-2,2-dimethylpropan-1-one?
The InChIKey is HZNSWHWVRVCFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-7-6-12-9(8(2)13-7)10(14)11(3,4)5/h7-9,12-13H,6H2,1-5H3.
What are the key properties of 1-(3,5-dimethylpiperazin-2-yl)-2,2-dimethylpropan-1-one?
1-(3,5-dimethylpiperazin-2-yl)-2,2-dimethylpropan-1-one has a molecular weight of 198.31 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperazin-2-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 176834143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).