1-[4-(2-hydroxyethyl)-2-methylpiperazin-1-yl]ethanone

C9H18N2O2 — CID 66568109

IUPAC1-[4-(2-hydroxyethyl)-2-methylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCO)CC1C
InChIInChI=1S/C9H18N2O2/c1-8-7-10(5-6-12)3-4-11(8)9(2)13/h8,12H,3-7H2,1-2H3
InChIKeyIUVYFHGVFWHMMW-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.47
Rot. Bonds2

About 1-[4-(2-hydroxyethyl)-2-methylpiperazin-1-yl]ethanone

1-[4-(2-hydroxyethyl)-2-methylpiperazin-1-yl]ethanone (PubChem CID 66568109) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)-2-methylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)-2-methylpiperazin-1-yl]ethanone
PubChem CID66568109
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-[4-(2-hydroxyethyl)-2-methylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCO)CC1C
InChIInChI=1S/C9H18N2O2/c1-8-7-10(5-6-12)3-4-11(8)9(2)13/h8,12H,3-7H2,1-2H3
InChIKeyIUVYFHGVFWHMMW-UHFFFAOYSA-N
XLogP-0.47
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Dimethylpiperazine-1,4-diethanol
CID 73433
2-Hydroxy-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 6480488
1-Acetyl-4-(2-hydroxyethyl)piperazine
CID 4739629
1,4-Bis[1-(hydroxymethyl)propyl]piperazine-2,3-dione
CID 469962
1-[4-(2-Hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 2995934
1-(2-Hydroxyethyl) 4-(1-oxobutyl)-piperazine
CID 15838679
(2S)-2-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one
CID 92860491
2-[Cyclopropyl(methyl)amino]-1-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone
CID 56802686
1-(2,6-Dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(methyl)amino]ethanone
CID 56828369
2-((2-Hydroxyethyl)(methyl)amino)-1-(2-methylpiperidin-1-yl)ethan-1-one
CID 60683912
1-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]ethanone
CID 95769722
Acetamide, N-methyl-N-[4-[4-[2-hydroxyethyl]-1-hexahydropyrazinyl]-
CID 535656

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)-2-methylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-hydroxyethyl)-2-methylpiperazin-1-yl]ethanone (CID 66568109) is 1-[4-(2-hydroxyethyl)-2-methylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)-2-methylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-hydroxyethyl)-2-methylpiperazin-1-yl]ethanone is CC(=O)N1CCN(CCO)CC1C.
What is the InChIKey of 1-[4-(2-hydroxyethyl)-2-methylpiperazin-1-yl]ethanone?
The InChIKey is IUVYFHGVFWHMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-8-7-10(5-6-12)3-4-11(8)9(2)13/h8,12H,3-7H2,1-2H3.
What are the key properties of 1-[4-(2-hydroxyethyl)-2-methylpiperazin-1-yl]ethanone?
1-[4-(2-hydroxyethyl)-2-methylpiperazin-1-yl]ethanone has a molecular weight of 186.25 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)-2-methylpiperazin-1-yl]ethanone is sourced from PubChem (CID 66568109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).