3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanoate

C9H19N2O3+ — CID 7059197

IUPAC3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanoate
SMILESO=C([O-])CC[NH+]1CC[NH+](CCO)CC1
InChIInChI=1S/C9H18N2O3/c12-8-7-11-5-3-10(4-6-11)2-1-9(13)14/h12H,1-8H2,(H,13,14)/p+1
InChIKeyNVFWNRGNHMNIKU-UHFFFAOYSA-O
MW203.26 g/mol
LogP-5.10
Rot. Bonds5

About 3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanoate

3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanoate (PubChem CID 7059197) has the molecular formula C9H19N2O3+ and a molecular weight of 203.26 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanoate.

Molecular Properties

Compound Name3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanoate
PubChem CID7059197
Molecular FormulaC9H19N2O3+
Molecular Weight203.26 g/mol
Exact Mass203.14
IUPAC Name3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanoate
SMILESO=C([O-])CC[NH+]1CC[NH+](CCO)CC1
InChIInChI=1S/C9H18N2O3/c12-8-7-11-5-3-10(4-6-11)2-1-9(13)14/h12H,1-8H2,(H,13,14)/p+1
InChIKeyNVFWNRGNHMNIKU-UHFFFAOYSA-O
XLogP-5.10
TPSA69.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 5-5.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanoate 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-carbamoylpiperazin-1-ium-1-yl)propanoate
CID 7023645
3-(4-propylpiperazin-1-ium-1-yl)propanoate
CID 29040460
3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoate
CID 42177125
3-(4-sulfanylidene-1,3,5-triazinan-1-ium-1-yl)propanoate
CID 7016148
cesium 3-hydroxypropanoate
CID 20822790
sodium 4-hydroxy(1,2,3,4-13C4)butanoate
CID 139025091
1-(3-amino-3-oxopropyl)piperidin-1-ium-4-carboxylate
CID 7219922
5-(4-ethylpiperazin-1-ium-1-yl)pentanoate
CID 28972297
bis(butanedioate);osmium(4+)
CID 159559487
30-hydroxytriacontanoate
CID 71768153
1-butylpyrrolidin-1-ium acetate
CID 118062280
2-(4-ethylpiperazine-1,4-diium-1-yl)acetate
CID 7258526

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanoate?
The IUPAC name of 3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanoate (CID 7059197) is 3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanoate.
What is the SMILES notation for 3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanoate?
The canonical SMILES for 3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanoate is O=C([O-])CC[NH+]1CC[NH+](CCO)CC1.
What is the InChIKey of 3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanoate?
The InChIKey is NVFWNRGNHMNIKU-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H18N2O3/c12-8-7-11-5-3-10(4-6-11)2-1-9(13)14/h12H,1-8H2,(H,13,14)/p+1.
What are the key properties of 3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanoate?
3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanoate has a molecular weight of 203.26 g/mol, XLogP of -5.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanoate is sourced from PubChem (CID 7059197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).