2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid

C12H24N2O5 — CID 176958923

IUPAC2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid
SMILESO=C(O)COCCN1CCN(CCOCCO)CC1
InChIInChI=1S/C12H24N2O5/c15-7-10-18-8-5-13-1-3-14(4-2-13)6-9-19-11-12(16)17/h15H,1-11H2,(H,16,17)
InChIKeyLLEKJOSYVIMPCE-UHFFFAOYSA-N
MW276.33 g/mol
LogP-1.29
Rot. Bonds10

About 2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid

2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid (PubChem CID 176958923) has the molecular formula C12H24N2O5 and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid
PubChem CID176958923
Molecular FormulaC12H24N2O5
Molecular Weight276.33 g/mol
Exact Mass276.17
IUPAC Name2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid
SMILESO=C(O)COCCN1CCN(CCOCCO)CC1
InChIInChI=1S/C12H24N2O5/c15-7-10-18-8-5-13-1-3-14(4-2-13)6-9-19-11-12(16)17/h15H,1-11H2,(H,16,17)
InChIKeyLLEKJOSYVIMPCE-UHFFFAOYSA-N
XLogP-1.29
TPSA82.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]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

Related Compounds

2-(2-(1-Piperazinyl)ethoxy)acetic acid
CID 9815476
2-(2-(4-Ethylpiperazin-1-yl)-2-oxoethoxy)acetic acid
CID 1431333
[2-(4-Methylpiperazin-1-yl)-2-oxoethoxy]acetic acid
CID 7326215
4-[2-(2-Methoxy-2-oxoethoxy)ethyl]piperazine-1-carboxylic acid
CID 17886104
Acetic acid, [2-(4-morpholinyl)ethoxy]-
CID 20063797
[2-[4-(2-Hydroxyethyl)piperazin-1-yl]-2-oxoethyl] acetate
CID 20696618
2-[2-(Morpholin-4-yl)ethoxy]acetic acid hydrochloride
CID 21651310
3-[4-[2-(Carboxymethoxy)ethyl]piperazin-1-yl]propanoic acid
CID 57002226
Actinium;2-[bis(2-hydroxyethyl)amino]ethyl 2-hydroxyacetate
CID 60059693
Ethyl 2-[2-(4-methylpiperazin-1-yl)ethoxy]acetate
CID 80189218
2-Hydroxyethyl 2-[4-[2-(2-hydroxyethoxy)-2-oxoethyl]piperazin-1-yl]acetate
CID 86226691
2-[2-[2-(Dimethylamino)ethyl-methylamino]ethoxy]acetic acid
CID 87592512

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid?
The IUPAC name of 2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid (CID 176958923) is 2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid is O=C(O)COCCN1CCN(CCOCCO)CC1.
What is the InChIKey of 2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid?
The InChIKey is LLEKJOSYVIMPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5/c15-7-10-18-8-5-13-1-3-14(4-2-13)6-9-19-11-12(16)17/h15H,1-11H2,(H,16,17).
What are the key properties of 2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid?
2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid has a molecular weight of 276.33 g/mol, XLogP of -1.29, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid is sourced from PubChem (CID 176958923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).