3-(2,5-diethylpiperazin-1-yl)propanoic acid

C11H22N2O2 — CID 64978721

IUPAC3-(2,5-diethylpiperazin-1-yl)propanoic acid
SMILESCCC1CN(CCC(=O)O)C(CC)CN1
InChIInChI=1S/C11H22N2O2/c1-3-9-8-13(6-5-11(14)15)10(4-2)7-12-9/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyUYFVRIDZWGAQKS-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.92
Rot. Bonds5

About 3-(2,5-diethylpiperazin-1-yl)propanoic acid

3-(2,5-diethylpiperazin-1-yl)propanoic acid (PubChem CID 64978721) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-(2,5-diethylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(2,5-diethylpiperazin-1-yl)propanoic acid
PubChem CID64978721
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-(2,5-diethylpiperazin-1-yl)propanoic acid
SMILESCCC1CN(CCC(=O)O)C(CC)CN1
InChIInChI=1S/C11H22N2O2/c1-3-9-8-13(6-5-11(14)15)10(4-2)7-12-9/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyUYFVRIDZWGAQKS-UHFFFAOYSA-N
XLogP0.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-diethylpiperazin-1-yl)-2-methylbutan-2-ol
CID 79355714
2,5-diethyl-1-(3-methylsulfanylpropyl)piperazine
CID 64942402
1-(3,3-diethoxypropyl)-2,5-diethylpiperazine
CID 81093832
2-(2,5-diethylpiperazin-1-yl)-N,N-dipropylacetamide
CID 64978870
1-[2-(2,5-diethylpiperazin-1-yl)ethyl]imidazolidin-2-one
CID 64978611
1-(2,5-diethylpiperazin-1-yl)butan-1-one
CID 64977925
1-(2-bromoprop-2-enyl)-2,5-diethylpiperazine
CID 64978694
methyl 3-(2,5-diethylpiperazin-1-yl)-2-methylpropanoate
CID 64978568
methyl 3-(2,5-diethylpiperazin-1-yl)-2-hydroxy-2-methylpropanoate
CID 104645125
methyl 3-(2,5-diethylpiperazin-1-yl)-2,2-dimethylpropanoate
CID 79619649
2-(2,5-diethylpiperazin-1-yl)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 64979180
3-(2,5-diethylpiperazin-1-yl)butanoic acid
CID 64979155

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-diethylpiperazin-1-yl)propanoic acid?
The IUPAC name of 3-(2,5-diethylpiperazin-1-yl)propanoic acid (CID 64978721) is 3-(2,5-diethylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 3-(2,5-diethylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 3-(2,5-diethylpiperazin-1-yl)propanoic acid is CCC1CN(CCC(=O)O)C(CC)CN1.
What is the InChIKey of 3-(2,5-diethylpiperazin-1-yl)propanoic acid?
The InChIKey is UYFVRIDZWGAQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-9-8-13(6-5-11(14)15)10(4-2)7-12-9/h9-10,12H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 3-(2,5-diethylpiperazin-1-yl)propanoic acid?
3-(2,5-diethylpiperazin-1-yl)propanoic acid has a molecular weight of 214.31 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-diethylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 64978721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).