2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-piperazin-1-ylacetate

C13H26N2O5 — CID 104562881

IUPAC2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-piperazin-1-ylacetate
SMILESCOCCOCCOCCOC(=O)CN1CCNCC1
InChIInChI=1S/C13H26N2O5/c1-17-6-7-18-8-9-19-10-11-20-13(16)12-15-4-2-14-3-5-15/h14H,2-12H2,1H3
InChIKeyREPVDHHHWJQQGV-UHFFFAOYSA-N
MW290.36 g/mol
LogP-0.89
Rot. Bonds11

About 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-piperazin-1-ylacetate

2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-piperazin-1-ylacetate (PubChem CID 104562881) has the molecular formula C13H26N2O5 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-piperazin-1-ylacetate.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-piperazin-1-ylacetate
PubChem CID104562881
Molecular FormulaC13H26N2O5
Molecular Weight290.36 g/mol
Exact Mass290.18
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-piperazin-1-ylacetate
SMILESCOCCOCCOCCOC(=O)CN1CCNCC1
InChIInChI=1S/C13H26N2O5/c1-17-6-7-18-8-9-19-10-11-20-13(16)12-15-4-2-14-3-5-15/h14H,2-12H2,1H3
InChIKeyREPVDHHHWJQQGV-UHFFFAOYSA-N
XLogP-0.89
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-piperazin-1-ylacetate 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

Ethyl piperazine-1-acetate
CID 207112
Triethyl 2,2',2''-(1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate
CID 10906130
Glycine, N,N'-1,2-ethanediylbis(N-(carboxymethyl)-, compd. with morpholine (1:?)
CID 172027
Ethyl 2-(piperazin-1-yl)propanoate
CID 2736463
Methyl 2-{[2-(morpholin-4-yl)ethyl]amino}acetate
CID 28583171
Ethyl 2-[7-(2-ethoxy-2-oxo-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 393880
1,4-Piperazinediacetic acid, diethyl ester
CID 142460
Methyl 2-{[2-(4-methylpiperazin-1-yl)ethyl]amino}acetate
CID 82889193
2-{[2-(Morpholin-4-yl)ethyl]amino}acetic acid
CID 28897547
1-Piperazineacetic acid, methyl ester
CID 15343158
2-(2-Piperazin-1-ylethoxy)ethyl acetate;2,2,2-trifluoroacetic acid
CID 70086364
2,2-Difluoroacetic acid;2-(2-piperazin-1-ylethoxy)ethyl acetate
CID 88140107

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-piperazin-1-ylacetate?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-piperazin-1-ylacetate (CID 104562881) is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-piperazin-1-ylacetate.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-piperazin-1-ylacetate?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-piperazin-1-ylacetate is COCCOCCOCCOC(=O)CN1CCNCC1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-piperazin-1-ylacetate?
The InChIKey is REPVDHHHWJQQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O5/c1-17-6-7-18-8-9-19-10-11-20-13(16)12-15-4-2-14-3-5-15/h14H,2-12H2,1H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-piperazin-1-ylacetate?
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-piperazin-1-ylacetate has a molecular weight of 290.36 g/mol, XLogP of -0.89, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-piperazin-1-ylacetate is sourced from PubChem (CID 104562881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).