3-(4-ethylpiperazin-1-yl)propanoic acid;dihydrochloride

C9H20Cl2N2O2 — CID 45074891

IUPAC3-(4-ethylpiperazin-1-yl)propanoic acid;dihydrochloride
SMILESCCN1CCN(CCC(=O)O)CC1.Cl.Cl
InChIInChI=1S/C9H18N2O2.2ClH/c1-2-10-5-7-11(8-6-10)4-3-9(12)13;;/h2-8H2,1H3,(H,12,13);2*1H
InChIKeyAGPZIQZBOIOKFE-UHFFFAOYSA-N
MW259.18 g/mol
LogP0.94
Rot. Bonds4

About 3-(4-ethylpiperazin-1-yl)propanoic acid;dihydrochloride

3-(4-ethylpiperazin-1-yl)propanoic acid;dihydrochloride (PubChem CID 45074891) has the molecular formula C9H20Cl2N2O2 and a molecular weight of 259.18 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)propanoic acid;dihydrochloride.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)propanoic acid;dihydrochloride
PubChem CID45074891
Molecular FormulaC9H20Cl2N2O2
Molecular Weight259.18 g/mol
Exact Mass258.09
IUPAC Name3-(4-ethylpiperazin-1-yl)propanoic acid;dihydrochloride
SMILESCCN1CCN(CCC(=O)O)CC1.Cl.Cl
InChIInChI=1S/C9H18N2O2.2ClH/c1-2-10-5-7-11(8-6-10)4-3-9(12)13;;/h2-8H2,1H3,(H,12,13);2*1H
InChIKeyAGPZIQZBOIOKFE-UHFFFAOYSA-N
XLogP0.94
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)propanoic acid;dihydrochloride?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)propanoic acid;dihydrochloride (CID 45074891) is 3-(4-ethylpiperazin-1-yl)propanoic acid;dihydrochloride.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)propanoic acid;dihydrochloride?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)propanoic acid;dihydrochloride is CCN1CCN(CCC(=O)O)CC1.Cl.Cl.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)propanoic acid;dihydrochloride?
The InChIKey is AGPZIQZBOIOKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2.2ClH/c1-2-10-5-7-11(8-6-10)4-3-9(12)13;;/h2-8H2,1H3,(H,12,13);2*1H.
What are the key properties of 3-(4-ethylpiperazin-1-yl)propanoic acid;dihydrochloride?
3-(4-ethylpiperazin-1-yl)propanoic acid;dihydrochloride has a molecular weight of 259.18 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)propanoic acid;dihydrochloride is sourced from PubChem (CID 45074891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).