4-[4-(2-hydroxyethyl)piperazin-1-yl]butanoic acid

C10H20N2O3 — CID 22683899

IUPAC4-[4-(2-hydroxyethyl)piperazin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CCN(CCO)CC1
InChIInChI=1S/C10H20N2O3/c13-9-8-12-6-4-11(5-7-12)3-1-2-10(14)15/h13H,1-9H2,(H,14,15)
InChIKeyNXBDOBCNCUDBPX-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.54
Rot. Bonds6

About 4-[4-(2-hydroxyethyl)piperazin-1-yl]butanoic acid

4-[4-(2-hydroxyethyl)piperazin-1-yl]butanoic acid (PubChem CID 22683899) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethyl)piperazin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[4-(2-hydroxyethyl)piperazin-1-yl]butanoic acid
PubChem CID22683899
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name4-[4-(2-hydroxyethyl)piperazin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CCN(CCO)CC1
InChIInChI=1S/C10H20N2O3/c13-9-8-12-6-4-11(5-7-12)3-1-2-10(14)15/h13H,1-9H2,(H,14,15)
InChIKeyNXBDOBCNCUDBPX-UHFFFAOYSA-N
XLogP-0.54
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-carboxyethyl)piperazin-1-yl]butanoic acid
CID 82323105
6-(aziridin-1-yl)hexanoic acid
CID 141385441
4-[4-(4-aminobutyl)piperazin-1-yl]butanoic acid
CID 59708799
4-(4-acetylpiperazin-1-yl)butanoic acid
CID 20992242
4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbutanoic acid
CID 43501356
4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-methylamino]butanoic acid
CID 43592289
2-[4-[2-[4,7-bis(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethyl]-7-(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethanol
CID 18512424
4-(1,3,5-dithiazinan-5-yl)butanoic acid
CID 101212176
5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanal
CID 142873436
2-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]ethanol
CID 62021526
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;methyl hydrogen carbonate
CID 67621651
6-piperazin-1-ylhexanoic acid
CID 54010280

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyethyl)piperazin-1-yl]butanoic acid?
The IUPAC name of 4-[4-(2-hydroxyethyl)piperazin-1-yl]butanoic acid (CID 22683899) is 4-[4-(2-hydroxyethyl)piperazin-1-yl]butanoic acid.
What is the SMILES notation for 4-[4-(2-hydroxyethyl)piperazin-1-yl]butanoic acid?
The canonical SMILES for 4-[4-(2-hydroxyethyl)piperazin-1-yl]butanoic acid is O=C(O)CCCN1CCN(CCO)CC1.
What is the InChIKey of 4-[4-(2-hydroxyethyl)piperazin-1-yl]butanoic acid?
The InChIKey is NXBDOBCNCUDBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c13-9-8-12-6-4-11(5-7-12)3-1-2-10(14)15/h13H,1-9H2,(H,14,15).
What are the key properties of 4-[4-(2-hydroxyethyl)piperazin-1-yl]butanoic acid?
4-[4-(2-hydroxyethyl)piperazin-1-yl]butanoic acid has a molecular weight of 216.28 g/mol, XLogP of -0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyethyl)piperazin-1-yl]butanoic acid is sourced from PubChem (CID 22683899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).