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

C12H24N2O2 — CID 64979155

IUPAC3-(2,5-diethylpiperazin-1-yl)butanoic acid
SMILESCCC1CN(C(C)CC(=O)O)C(CC)CN1
InChIInChI=1S/C12H24N2O2/c1-4-10-8-14(9(3)6-12(15)16)11(5-2)7-13-10/h9-11,13H,4-8H2,1-3H3,(H,15,16)
InChIKeyCKGYMGZOANAUIN-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.31
Rot. Bonds5

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

3-(2,5-diethylpiperazin-1-yl)butanoic acid (PubChem CID 64979155) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-(2,5-diethylpiperazin-1-yl)butanoic acid.

Molecular Properties

Compound Name3-(2,5-diethylpiperazin-1-yl)butanoic acid
PubChem CID64979155
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-(2,5-diethylpiperazin-1-yl)butanoic acid
SMILESCCC1CN(C(C)CC(=O)O)C(CC)CN1
InChIInChI=1S/C12H24N2O2/c1-4-10-8-14(9(3)6-12(15)16)11(5-2)7-13-10/h9-11,13H,4-8H2,1-3H3,(H,15,16)
InChIKeyCKGYMGZOANAUIN-UHFFFAOYSA-N
XLogP1.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-diethyl-1-hexan-2-ylpiperazine
CID 64947739
2,5-diethyl-1-octan-2-ylpiperazine
CID 64946640
N-tert-butyl-2-(2,5-diethylpiperazin-1-yl)propanamide
CID 64978759
1-but-3-en-2-yl-2,5-diethylpiperazine
CID 64978837
3-(2,5-diethylpiperazin-1-yl)propanoic acid
CID 64978721
2,5-diethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine
CID 64941276
2-ethyl-1-(6-methylheptan-2-yl)-5-propylpiperazine
CID 64948165
2-ethyl-1-(1-methoxypropan-2-yl)-5-propylpiperazine
CID 64932571
methyl 3-(2,5-diethylpiperazin-1-yl)-2-methylpropanoate
CID 64978568
1-butan-2-yl-5-ethyl-2-methylpiperazine
CID 64931407
1-(2,5-diethylpiperazin-1-yl)butan-1-one
CID 64977925
4-[1-(2,5-diethylpiperazin-1-yl)ethyl]benzene-1,3-diol
CID 64977805

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-diethylpiperazin-1-yl)butanoic acid?
The IUPAC name of 3-(2,5-diethylpiperazin-1-yl)butanoic acid (CID 64979155) is 3-(2,5-diethylpiperazin-1-yl)butanoic acid.
What is the SMILES notation for 3-(2,5-diethylpiperazin-1-yl)butanoic acid?
The canonical SMILES for 3-(2,5-diethylpiperazin-1-yl)butanoic acid is CCC1CN(C(C)CC(=O)O)C(CC)CN1.
What is the InChIKey of 3-(2,5-diethylpiperazin-1-yl)butanoic acid?
The InChIKey is CKGYMGZOANAUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-10-8-14(9(3)6-12(15)16)11(5-2)7-13-10/h9-11,13H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 3-(2,5-diethylpiperazin-1-yl)butanoic acid?
3-(2,5-diethylpiperazin-1-yl)butanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.31, 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)butanoic acid is sourced from PubChem (CID 64979155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).