2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetic acid

C12H24N2O5 — CID 90281064

IUPAC2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetic acid
SMILESO=C(O)COCCOCCOCCN1CCNCC1
InChIInChI=1S/C12H24N2O5/c15-12(16)11-19-10-9-18-8-7-17-6-5-14-3-1-13-2-4-14/h13H,1-11H2,(H,15,16)
InChIKeyRUNJYWJYEIKUFZ-UHFFFAOYSA-N
MW276.33 g/mol
LogP-0.97
Rot. Bonds11

About 2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetic acid

2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetic acid (PubChem CID 90281064) has the molecular formula C12H24N2O5 and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetic acid
PubChem CID90281064
Molecular FormulaC12H24N2O5
Molecular Weight276.33 g/mol
Exact Mass276.17
IUPAC Name2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetic acid
SMILESO=C(O)COCCOCCOCCN1CCNCC1
InChIInChI=1S/C12H24N2O5/c15-12(16)11-19-10-9-18-8-7-17-6-5-14-3-1-13-2-4-14/h13H,1-11H2,(H,15,16)
InChIKeyRUNJYWJYEIKUFZ-UHFFFAOYSA-N
XLogP-0.97
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetic acid 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-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetic acid (CID 90281064) is 2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetic acid is O=C(O)COCCOCCOCCN1CCNCC1.
What is the InChIKey of 2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetic acid?
The InChIKey is RUNJYWJYEIKUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5/c15-12(16)11-19-10-9-18-8-7-17-6-5-14-3-1-13-2-4-14/h13H,1-11H2,(H,15,16).
What are the key properties of 2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetic acid?
2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetic acid has a molecular weight of 276.33 g/mol, XLogP of -0.97, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 90281064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).