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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Related Compounds

1-(3-fluoropropyl)-2,2,4-trimethylpiperazine
CID 130693360
4-[(2,2,4-trimethylpiperazin-1-yl)methyl]benzoic acid
CID 122029124
4-(2,2-dimethylmorpholin-4-yl)butanoic acid
CID 43593005
4-(2,2-dimethyl-3-oxopiperazin-1-yl)butanoic acid
CID 63607322
5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
CID 63608884
5-(2,2-dimethyl-4-oxopyrrolidin-1-yl)pentanoic acid
CID 163404270
5-(2,2-dimethylpyrrolidin-1-yl)pentan-2-one
CID 63217799
4-(3-methyl-3-propylpiperidin-1-yl)butanoic acid
CID 119139251
6-(4-methyl-1,4-diazepan-1-yl)-6-oxohexanoic acid
CID 43447207
5-(3,3-diethylazetidin-1-yl)pentanoic acid
CID 79694469
6-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-oxohexanoic acid
CID 107163135
5-(3-fluoro-3-methylpyrrolidin-1-yl)pentanoic acid
CID 163404212

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).