2-(2,4-dimethylpiperazin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone

C11H21N3O2 — CID 170181617

IUPAC2-(2,4-dimethylpiperazin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone
SMILESCC1CN(C)CCN1CC(=O)N1CC(O)C1
InChIInChI=1S/C11H21N3O2/c1-9-5-12(2)3-4-13(9)8-11(16)14-6-10(15)7-14/h9-10,15H,3-8H2,1-2H3
InChIKeyVBOACKYVPKULNC-UHFFFAOYSA-N
MW227.31 g/mol
LogP-1.17
Rot. Bonds2

About 2-(2,4-dimethylpiperazin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone

2-(2,4-dimethylpiperazin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone (PubChem CID 170181617) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(2,4-dimethylpiperazin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-dimethylpiperazin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone
PubChem CID170181617
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-(2,4-dimethylpiperazin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone
SMILESCC1CN(C)CCN1CC(=O)N1CC(O)C1
InChIInChI=1S/C11H21N3O2/c1-9-5-12(2)3-4-13(9)8-11(16)14-6-10(15)7-14/h9-10,15H,3-8H2,1-2H3
InChIKeyVBOACKYVPKULNC-UHFFFAOYSA-N
XLogP-1.17
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2,4-dimethyl-1-(2-methylpropyl)piperazine
CID 171515421
2-cyclopentyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone
CID 71784724
1,4-dimethyl-1,4-diazepan-6-ol
CID 14999065
2-[(2S)-2,4-dimethylpiperazin-1-yl]acetonitrile
CID 142979155
2-(benzotriazol-2-yl)-1-(6-hydroxy-4-methyl-1,4-diazepan-1-yl)ethanone
CID 74250068
2-cyclohexyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone
CID 71784735
2-(2,4-dimethylpiperazin-1-yl)ethanamine
CID 66568123
cyclobutyl-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 71784715
2-(2,5-dimethylpiperazin-1-yl)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 64980735
9-(2,4-dimethylpiperazin-1-yl)nonane-1-thiol
CID 114086760
2-(3-aminopyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 62068636
1-(2,6-dimethylmorpholin-4-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282275

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpiperazin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone?
The IUPAC name of 2-(2,4-dimethylpiperazin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone (CID 170181617) is 2-(2,4-dimethylpiperazin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone.
What is the SMILES notation for 2-(2,4-dimethylpiperazin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone?
The canonical SMILES for 2-(2,4-dimethylpiperazin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone is CC1CN(C)CCN1CC(=O)N1CC(O)C1.
What is the InChIKey of 2-(2,4-dimethylpiperazin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone?
The InChIKey is VBOACKYVPKULNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-9-5-12(2)3-4-13(9)8-11(16)14-6-10(15)7-14/h9-10,15H,3-8H2,1-2H3.
What are the key properties of 2-(2,4-dimethylpiperazin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone?
2-(2,4-dimethylpiperazin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone has a molecular weight of 227.31 g/mol, XLogP of -1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpiperazin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone is sourced from PubChem (CID 170181617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).