4-(4-ethylphenyl)-3-piperazin-1-ylbutanoic acid

C16H24N2O2 — CID 82352241

IUPAC4-(4-ethylphenyl)-3-piperazin-1-ylbutanoic acid
SMILESCCc1ccc(CC(CC(=O)O)N2CCNCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-2-13-3-5-14(6-4-13)11-15(12-16(19)20)18-9-7-17-8-10-18/h3-6,15,17H,2,7-12H2,1H3,(H,19,20)
InChIKeyTXDKJFMUCFRHNA-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.54
Rot. Bonds6

About 4-(4-ethylphenyl)-3-piperazin-1-ylbutanoic acid

4-(4-ethylphenyl)-3-piperazin-1-ylbutanoic acid (PubChem CID 82352241) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-3-piperazin-1-ylbutanoic acid.

Molecular Properties

Compound Name4-(4-ethylphenyl)-3-piperazin-1-ylbutanoic acid
PubChem CID82352241
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-(4-ethylphenyl)-3-piperazin-1-ylbutanoic acid
SMILESCCc1ccc(CC(CC(=O)O)N2CCNCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-2-13-3-5-14(6-4-13)11-15(12-16(19)20)18-9-7-17-8-10-18/h3-6,15,17H,2,7-12H2,1H3,(H,19,20)
InChIKeyTXDKJFMUCFRHNA-UHFFFAOYSA-N
XLogP1.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4-ethylphenyl)-3-piperazin-1-ylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-methylphenyl)-3-piperazin-1-ylbutanoic acid
CID 82352205
3-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)butanoic acid
CID 82352281
4-(4-ethoxyphenyl)-3-pyrrolidin-1-ylbutanoic acid
CID 82352342
1-(1-phenylhexan-2-yl)piperazine
CID 67652874
1-[(4-ethylphenyl)-phenylmethyl]piperazine
CID 3530514
4-[3-(4-chlorophenyl)-2-piperazin-1-ylpropyl]-N,N-diethylaniline;dihydrochloride
CID 21448537
4-[2-(1,4-diazepan-1-yl)pentyl]-N,N-diethylbenzamide
CID 67647635
3-(4-ethylphenyl)-2-pyrrolidin-1-ylpropanoic acid
CID 82086532
1-[(1R)-1-(4-ethylphenyl)-2,2-difluoroethyl]piperazine
CID 171281145
2-piperazin-1-ylbutanedioic acid;dihydrochloride
CID 68966423
4-[(4-ethylphenyl)-piperazin-1-ylmethyl]-N,N-dimethylaniline
CID 3902289
3-[4-(4-fluorophenyl)piperazin-1-yl]pentanoic acid
CID 63069456

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-3-piperazin-1-ylbutanoic acid?
The IUPAC name of 4-(4-ethylphenyl)-3-piperazin-1-ylbutanoic acid (CID 82352241) is 4-(4-ethylphenyl)-3-piperazin-1-ylbutanoic acid.
What is the SMILES notation for 4-(4-ethylphenyl)-3-piperazin-1-ylbutanoic acid?
The canonical SMILES for 4-(4-ethylphenyl)-3-piperazin-1-ylbutanoic acid is CCc1ccc(CC(CC(=O)O)N2CCNCC2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-3-piperazin-1-ylbutanoic acid?
The InChIKey is TXDKJFMUCFRHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-13-3-5-14(6-4-13)11-15(12-16(19)20)18-9-7-17-8-10-18/h3-6,15,17H,2,7-12H2,1H3,(H,19,20).
What are the key properties of 4-(4-ethylphenyl)-3-piperazin-1-ylbutanoic acid?
4-(4-ethylphenyl)-3-piperazin-1-ylbutanoic acid has a molecular weight of 276.38 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-3-piperazin-1-ylbutanoic acid is sourced from PubChem (CID 82352241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).