4-(2,2,4-trimethylpiperazin-1-yl)butanoic acid

C11H22N2O2 — CID 57258120

IUPAC4-(2,2,4-trimethylpiperazin-1-yl)butanoic acid
SMILESCN1CCN(CCCC(=O)O)C(C)(C)C1
InChIInChI=1S/C11H22N2O2/c1-11(2)9-12(3)7-8-13(11)6-4-5-10(14)15/h4-9H2,1-3H3,(H,14,15)
InChIKeyJZQOYDBYVJSING-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.88
Rot. Bonds4

About 4-(2,2,4-trimethylpiperazin-1-yl)butanoic acid

4-(2,2,4-trimethylpiperazin-1-yl)butanoic acid (PubChem CID 57258120) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-(2,2,4-trimethylpiperazin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(2,2,4-trimethylpiperazin-1-yl)butanoic acid
PubChem CID57258120
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-(2,2,4-trimethylpiperazin-1-yl)butanoic acid
SMILESCN1CCN(CCCC(=O)O)C(C)(C)C1
InChIInChI=1S/C11H22N2O2/c1-11(2)9-12(3)7-8-13(11)6-4-5-10(14)15/h4-9H2,1-3H3,(H,14,15)
InChIKeyJZQOYDBYVJSING-UHFFFAOYSA-N
XLogP0.88
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,4-trimethylpiperazin-1-yl)butanoic acid?
The IUPAC name of 4-(2,2,4-trimethylpiperazin-1-yl)butanoic acid (CID 57258120) is 4-(2,2,4-trimethylpiperazin-1-yl)butanoic acid.
What is the SMILES notation for 4-(2,2,4-trimethylpiperazin-1-yl)butanoic acid?
The canonical SMILES for 4-(2,2,4-trimethylpiperazin-1-yl)butanoic acid is CN1CCN(CCCC(=O)O)C(C)(C)C1.
What is the InChIKey of 4-(2,2,4-trimethylpiperazin-1-yl)butanoic acid?
The InChIKey is JZQOYDBYVJSING-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2)9-12(3)7-8-13(11)6-4-5-10(14)15/h4-9H2,1-3H3,(H,14,15).
What are the key properties of 4-(2,2,4-trimethylpiperazin-1-yl)butanoic acid?
4-(2,2,4-trimethylpiperazin-1-yl)butanoic acid has a molecular weight of 214.31 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,4-trimethylpiperazin-1-yl)butanoic acid is sourced from PubChem (CID 57258120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).