5-(4-ethylpiperazin-1-ium-1-yl)pentanoate

C11H22N2O2 — CID 28972297

IUPAC5-(4-ethylpiperazin-1-ium-1-yl)pentanoate
SMILESCCN1CC[NH+](CCCCC(=O)[O-])CC1
InChIInChI=1S/C11H22N2O2/c1-2-12-7-9-13(10-8-12)6-4-3-5-11(14)15/h2-10H2,1H3,(H,14,15)
InChIKeyOLLSVUSGZGXDJS-UHFFFAOYSA-N
MW214.31 g/mol
LogP-1.87
Rot. Bonds6

About 5-(4-ethylpiperazin-1-ium-1-yl)pentanoate

5-(4-ethylpiperazin-1-ium-1-yl)pentanoate (PubChem CID 28972297) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 5-(4-ethylpiperazin-1-ium-1-yl)pentanoate.

Molecular Properties

Compound Name5-(4-ethylpiperazin-1-ium-1-yl)pentanoate
PubChem CID28972297
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name5-(4-ethylpiperazin-1-ium-1-yl)pentanoate
SMILESCCN1CC[NH+](CCCCC(=O)[O-])CC1
InChIInChI=1S/C11H22N2O2/c1-2-12-7-9-13(10-8-12)6-4-3-5-11(14)15/h2-10H2,1H3,(H,14,15)
InChIKeyOLLSVUSGZGXDJS-UHFFFAOYSA-N
XLogP-1.87
TPSA47.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-1.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4-ethylpiperazin-1-ium-1-yl)pentanoate 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

3-(4-propylpiperazin-1-ium-1-yl)propanoate
CID 29040460
5-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]pentanoate
CID 28972353
1-hexyl-3-methylimidazolidin-1-ium acetate
CID 162325421
1-decylpyrrolidin-1-ium acetate
CID 171569626
1-butylpyrrolidin-1-ium acetate
CID 118062280
3-(4-carbamoylpiperazin-1-ium-1-yl)propanoate
CID 7023645
3-(4-methylpiperazin-4-ium-1-yl)propanoate
CID 51589872
4-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]butanoate
CID 28942731
tridecanedioate
CID 6994474
cadmium(2+);hexanedioate
CID 19376883
magnesium hexanedioate
CID 24074
strontium hexanedioate
CID 134687758

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazin-1-ium-1-yl)pentanoate?
The IUPAC name of 5-(4-ethylpiperazin-1-ium-1-yl)pentanoate (CID 28972297) is 5-(4-ethylpiperazin-1-ium-1-yl)pentanoate.
What is the SMILES notation for 5-(4-ethylpiperazin-1-ium-1-yl)pentanoate?
The canonical SMILES for 5-(4-ethylpiperazin-1-ium-1-yl)pentanoate is CCN1CC[NH+](CCCCC(=O)[O-])CC1.
What is the InChIKey of 5-(4-ethylpiperazin-1-ium-1-yl)pentanoate?
The InChIKey is OLLSVUSGZGXDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-12-7-9-13(10-8-12)6-4-3-5-11(14)15/h2-10H2,1H3,(H,14,15).
What are the key properties of 5-(4-ethylpiperazin-1-ium-1-yl)pentanoate?
5-(4-ethylpiperazin-1-ium-1-yl)pentanoate has a molecular weight of 214.31 g/mol, XLogP of -1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperazin-1-ium-1-yl)pentanoate is sourced from PubChem (CID 28972297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).