2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one

C10H20N2O — CID 3360236

IUPAC2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C10H20N2O/c1-10(2,3)9(13)12-7-5-11(4)6-8-12/h5-8H2,1-4H3
InChIKeyUAJLNIPWJQINPL-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.81
Rot. Bonds

About 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one

2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 3360236) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID3360236
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C10H20N2O/c1-10(2,3)9(13)12-7-5-11(4)6-8-12/h5-8H2,1-4H3
InChIKeyUAJLNIPWJQINPL-UHFFFAOYSA-N
XLogP0.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 158455362
2-fluoro-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 130165267
1-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 119281311
methyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate
CID 113221897
1-(4-methylpiperazin-1-yl)ethanone
CID 550758
3-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]-2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 166881497
4-(2,2-dimethylpropanoyl)-N-propylpiperazine-1-carboxamide
CID 110810662
2,2-dimethyl-1-[4-(2-methylbut-3-yn-2-yl)piperazin-1-yl]propan-1-one
CID 86610208
2,2-dimethyl-1-[4-[(1-methylazepan-4-yl)amino]piperidin-1-yl]propan-1-one
CID 65070633
4-(2,2-dimethylpropanoyl)piperazine-1-carboximidamide
CID 66718761
2,2-dimethyl-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]propan-1-one
CID 83634925
(2R)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoic acid
CID 28705148

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one (CID 3360236) is 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one is CN1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is UAJLNIPWJQINPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-10(2,3)9(13)12-7-5-11(4)6-8-12/h5-8H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one?
2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 184.28 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 3360236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).