2-hydroxyethyl 2-[4-[2-(2-hydroxyethoxy)-2-oxoethyl]piperazin-1-yl]acetate

C12H22N2O6 — CID 86226691

IUPAC2-hydroxyethyl 2-[4-[2-(2-hydroxyethoxy)-2-oxoethyl]piperazin-1-yl]acetate
SMILESO=C(CN1CCN(CC(=O)OCCO)CC1)OCCO
InChIInChI=1S/C12H22N2O6/c15-5-7-19-11(17)9-13-1-2-14(4-3-13)10-12(18)20-8-6-16/h15-16H,1-10H2
InChIKeyUXAKQIYRNOQGQR-UHFFFAOYSA-N
MW290.32 g/mol
LogP-2.33
Rot. Bonds8

About 2-hydroxyethyl 2-[4-[2-(2-hydroxyethoxy)-2-oxoethyl]piperazin-1-yl]acetate

2-hydroxyethyl 2-[4-[2-(2-hydroxyethoxy)-2-oxoethyl]piperazin-1-yl]acetate (PubChem CID 86226691) has the molecular formula C12H22N2O6 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-hydroxyethyl 2-[4-[2-(2-hydroxyethoxy)-2-oxoethyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Name2-hydroxyethyl 2-[4-[2-(2-hydroxyethoxy)-2-oxoethyl]piperazin-1-yl]acetate
PubChem CID86226691
Molecular FormulaC12H22N2O6
Molecular Weight290.32 g/mol
Exact Mass290.15
IUPAC Name2-hydroxyethyl 2-[4-[2-(2-hydroxyethoxy)-2-oxoethyl]piperazin-1-yl]acetate
SMILESO=C(CN1CCN(CC(=O)OCCO)CC1)OCCO
InChIInChI=1S/C12H22N2O6/c15-5-7-19-11(17)9-13-1-2-14(4-3-13)10-12(18)20-8-6-16/h15-16H,1-10H2
InChIKeyUXAKQIYRNOQGQR-UHFFFAOYSA-N
XLogP-2.33
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-2.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-[4-[2-(2-hydroxyethoxy)-2-oxoethyl]piperazin-1-yl]acetate?
The IUPAC name of 2-hydroxyethyl 2-[4-[2-(2-hydroxyethoxy)-2-oxoethyl]piperazin-1-yl]acetate (CID 86226691) is 2-hydroxyethyl 2-[4-[2-(2-hydroxyethoxy)-2-oxoethyl]piperazin-1-yl]acetate.
What is the SMILES notation for 2-hydroxyethyl 2-[4-[2-(2-hydroxyethoxy)-2-oxoethyl]piperazin-1-yl]acetate?
The canonical SMILES for 2-hydroxyethyl 2-[4-[2-(2-hydroxyethoxy)-2-oxoethyl]piperazin-1-yl]acetate is O=C(CN1CCN(CC(=O)OCCO)CC1)OCCO.
What is the InChIKey of 2-hydroxyethyl 2-[4-[2-(2-hydroxyethoxy)-2-oxoethyl]piperazin-1-yl]acetate?
The InChIKey is UXAKQIYRNOQGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O6/c15-5-7-19-11(17)9-13-1-2-14(4-3-13)10-12(18)20-8-6-16/h15-16H,1-10H2.
What are the key properties of 2-hydroxyethyl 2-[4-[2-(2-hydroxyethoxy)-2-oxoethyl]piperazin-1-yl]acetate?
2-hydroxyethyl 2-[4-[2-(2-hydroxyethoxy)-2-oxoethyl]piperazin-1-yl]acetate has a molecular weight of 290.32 g/mol, XLogP of -2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-[4-[2-(2-hydroxyethoxy)-2-oxoethyl]piperazin-1-yl]acetate is sourced from PubChem (CID 86226691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).