3-(4-ethylpiperazin-1-yl)butanoic acid

C10H20N2O2 — CID 43537206

IUPAC3-(4-ethylpiperazin-1-yl)butanoic acid
SMILESCCN1CCN(C(C)CC(=O)O)CC1
InChIInChI=1S/C10H20N2O2/c1-3-11-4-6-12(7-5-11)9(2)8-10(13)14/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyCMWMUWAXXSNSBJ-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.49
Rot. Bonds4

About 3-(4-ethylpiperazin-1-yl)butanoic acid

3-(4-ethylpiperazin-1-yl)butanoic acid (PubChem CID 43537206) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)butanoic acid.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)butanoic acid
PubChem CID43537206
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-(4-ethylpiperazin-1-yl)butanoic acid
SMILESCCN1CCN(C(C)CC(=O)O)CC1
InChIInChI=1S/C10H20N2O2/c1-3-11-4-6-12(7-5-11)9(2)8-10(13)14/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyCMWMUWAXXSNSBJ-UHFFFAOYSA-N
XLogP0.49
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid
CID 62777980
3-[4-(1-hydroxyethyl)piperazin-1-yl]butanoic acid
CID 68522004
3-(4-formylpiperazin-1-yl)butanoic acid
CID 82112365
3-(4-methylsulfonylpiperazin-1-yl)butanoic acid
CID 62993470
2-(4-ethylpiperazin-1-yl)-3-methylbutanoic acid
CID 22683944
3-(4-aminopiperidin-1-yl)butanoic acid
CID 43556886
3-(4-ethylpiperazin-1-yl)butanimidamide
CID 60914884
3-(8-azaspiro[4.5]decan-8-yl)butanoic acid
CID 63158284
3-[4-(hydroxymethyl)piperidin-1-yl]butanoic acid
CID 43537431
4-(4-ethylpiperazin-1-yl)pentan-2-amine
CID 64707978
2-(4-ethylpiperazin-1-yl)-N-methylpropanamide
CID 75790691
(2S)-2-amino-N-[2-(4-ethylpiperazin-1-yl)propyl]butanamide
CID 119901742

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)butanoic acid?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)butanoic acid (CID 43537206) is 3-(4-ethylpiperazin-1-yl)butanoic acid.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)butanoic acid?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)butanoic acid is CCN1CCN(C(C)CC(=O)O)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)butanoic acid?
The InChIKey is CMWMUWAXXSNSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-11-4-6-12(7-5-11)9(2)8-10(13)14/h9H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-(4-ethylpiperazin-1-yl)butanoic acid?
3-(4-ethylpiperazin-1-yl)butanoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.49, 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)butanoic acid is sourced from PubChem (CID 43537206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).