2-hydroxy-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone

C8H16N2O3 — CID 6480488

IUPAC2-hydroxy-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
SMILESO=C(CO)N1CCN(CCO)CC1
InChIInChI=1S/C8H16N2O3/c11-6-5-9-1-3-10(4-2-9)8(13)7-12/h11-12H,1-7H2
InChIKeyMLGKBQAGZVEOFZ-UHFFFAOYSA-N
MW188.23 g/mol
LogP-1.88
Rot. Bonds3

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

2-hydroxy-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone (PubChem CID 6480488) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-hydroxy-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
PubChem CID6480488
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-hydroxy-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
SMILESO=C(CO)N1CCN(CCO)CC1
InChIInChI=1S/C8H16N2O3/c11-6-5-9-1-3-10(4-2-9)8(13)7-12/h11-12H,1-7H2
InChIKeyMLGKBQAGZVEOFZ-UHFFFAOYSA-N
XLogP-1.88
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone (CID 6480488) is 2-hydroxy-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone is O=C(CO)N1CCN(CCO)CC1.
What is the InChIKey of 2-hydroxy-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The InChIKey is MLGKBQAGZVEOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c11-6-5-9-1-3-10(4-2-9)8(13)7-12/h11-12H,1-7H2.
What are the key properties of 2-hydroxy-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
2-hydroxy-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone has a molecular weight of 188.23 g/mol, XLogP of -1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 6480488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).