1-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone

C9H18N2O2 — CID 66568110

IUPAC1-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCO)C(C)C1
InChIInChI=1S/C9H18N2O2/c1-8-7-11(9(2)13)4-3-10(8)5-6-12/h8,12H,3-7H2,1-2H3
InChIKeyQYVAITBNQDMRET-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.47
Rot. Bonds2

About 1-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone

1-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone (PubChem CID 66568110) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone
PubChem CID66568110
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCO)C(C)C1
InChIInChI=1S/C9H18N2O2/c1-8-7-11(9(2)13)4-3-10(8)5-6-12/h8,12H,3-7H2,1-2H3
InChIKeyQYVAITBNQDMRET-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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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone (CID 66568110) is 1-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone is CC(=O)N1CCN(CCO)C(C)C1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone?
The InChIKey is QYVAITBNQDMRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-8-7-11(9(2)13)4-3-10(8)5-6-12/h8,12H,3-7H2,1-2H3.
What are the key properties of 1-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone?
1-[4-(2-hydroxyethyl)-3-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)-3-methylpiperazin-1-yl]ethanone is sourced from PubChem (CID 66568110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).