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

C16H24N2O3 — CID 119134368

IUPAC4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoic acid
SMILESCCOc1ccccc1N1CCN(CCCC(=O)O)CC1
InChIInChI=1S/C16H24N2O3/c1-2-21-15-7-4-3-6-14(15)18-12-10-17(11-13-18)9-5-8-16(19)20/h3-4,6-7H,2,5,8-13H2,1H3,(H,19,20)
InChIKeyJHSSUTXDTNKIGB-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.07
Rot. Bonds7

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

4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoic acid (PubChem CID 119134368) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoic acid
PubChem CID119134368
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoic acid
SMILESCCOc1ccccc1N1CCN(CCCC(=O)O)CC1
InChIInChI=1S/C16H24N2O3/c1-2-21-15-7-4-3-6-14(15)18-12-10-17(11-13-18)9-5-8-16(19)20/h3-4,6-7H,2,5,8-13H2,1H3,(H,19,20)
InChIKeyJHSSUTXDTNKIGB-UHFFFAOYSA-N
XLogP2.07
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butanoic acid
CID 119994243
4-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 4605707
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
CID 33055181
4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid
CID 20994315
3-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-(4-phenylpiperidin-1-yl)propan-1-one
CID 110185748
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
CID 127042300
1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine
CID 86795517
3-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone
CID 59144729
6-[4-(2-cyanophenyl)piperazin-1-yl]hexanoic acid
CID 69145059
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 78815634
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 78782303
dimethyl 1-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]triazole-4,5-dicarboxylate
CID 142671396

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoic acid?
The IUPAC name of 4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoic acid (CID 119134368) is 4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoic acid.
What is the SMILES notation for 4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoic acid?
The canonical SMILES for 4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoic acid is CCOc1ccccc1N1CCN(CCCC(=O)O)CC1.
What is the InChIKey of 4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoic acid?
The InChIKey is JHSSUTXDTNKIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-21-15-7-4-3-6-14(15)18-12-10-17(11-13-18)9-5-8-16(19)20/h3-4,6-7H,2,5,8-13H2,1H3,(H,19,20).
What are the key properties of 4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoic acid?
4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoic acid is sourced from PubChem (CID 119134368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).