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

C8H14N2O4 — CID 6482970

IUPAC2-hydroxy-1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethanone
SMILESO=C(CO)N1CCN(C(=O)CO)CC1
InChIInChI=1S/C8H14N2O4/c11-5-7(13)9-1-2-10(4-3-9)8(14)6-12/h11-12H,1-6H2
InChIKeyDWYXBYXEDJCWBM-UHFFFAOYSA-N
MW202.21 g/mol
LogP-2.36
Rot. Bonds2

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

2-hydroxy-1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethanone (PubChem CID 6482970) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-hydroxy-1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethanone
PubChem CID6482970
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name2-hydroxy-1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethanone
SMILESO=C(CO)N1CCN(C(=O)CO)CC1
InChIInChI=1S/C8H14N2O4/c11-5-7(13)9-1-2-10(4-3-9)8(14)6-12/h11-12H,1-6H2
InChIKeyDWYXBYXEDJCWBM-UHFFFAOYSA-N
XLogP-2.36
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-2.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethanone (CID 6482970) is 2-hydroxy-1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethanone is O=C(CO)N1CCN(C(=O)CO)CC1.
What is the InChIKey of 2-hydroxy-1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethanone?
The InChIKey is DWYXBYXEDJCWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c11-5-7(13)9-1-2-10(4-3-9)8(14)6-12/h11-12H,1-6H2.
What are the key properties of 2-hydroxy-1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethanone?
2-hydroxy-1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethanone has a molecular weight of 202.21 g/mol, XLogP of -2.36, 2 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-hydroxyacetyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 6482970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).