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

C13H18N2O3 — CID 25360108

IUPAC2-[4-(2-hydroxyethyl)piperazin-1-yl]benzoic acid
SMILESO=C(O)c1ccccc1N1CCN(CCO)CC1
InChIInChI=1S/C13H18N2O3/c16-10-9-14-5-7-15(8-6-14)12-4-2-1-3-11(12)13(17)18/h1-4,16H,5-10H2,(H,17,18)
InChIKeyDDFYXKMXZDHUJK-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.50
Rot. Bonds4

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

2-[4-(2-hydroxyethyl)piperazin-1-yl]benzoic acid (PubChem CID 25360108) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)piperazin-1-yl]benzoic acid.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)piperazin-1-yl]benzoic acid
PubChem CID25360108
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[4-(2-hydroxyethyl)piperazin-1-yl]benzoic acid
SMILESO=C(O)c1ccccc1N1CCN(CCO)CC1
InChIInChI=1S/C13H18N2O3/c16-10-9-14-5-7-15(8-6-14)12-4-2-1-3-11(12)13(17)18/h1-4,16H,5-10H2,(H,17,18)
InChIKeyDDFYXKMXZDHUJK-UHFFFAOYSA-N
XLogP0.50
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-hydroxyethyl)piperazin-1-yl]benzoic 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

1-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]phenyl]propan-1-one
CID 107223361
2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide
CID 43592118
4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 81232649
2-[4-(2,2-dimethylpropyl)piperazin-1-yl]benzoic acid
CID 28802287
2-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]benzoic acid
CID 107214390
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-4-methylbenzoic acid
CID 107223336
2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethanol
CID 117028316
2-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]benzoic acid
CID 107223479
2-[4-(2-nitrophenyl)piperazin-1-yl]ethanol;hydrochloride
CID 17384295
2-[4-(2-ethylsulfonylphenyl)piperazin-1-yl]ethanol
CID 61150559
2-fluoro-3-[4-(2-phenylethyl)piperazin-1-yl]benzoic acid
CID 15289956
2-benzyl-N,N-diethyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]benzamide;dihydrochloride
CID 142636557

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]benzoic acid?
The IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]benzoic acid (CID 25360108) is 2-[4-(2-hydroxyethyl)piperazin-1-yl]benzoic acid.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazin-1-yl]benzoic acid?
The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazin-1-yl]benzoic acid is O=C(O)c1ccccc1N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazin-1-yl]benzoic acid?
The InChIKey is DDFYXKMXZDHUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-10-9-14-5-7-15(8-6-14)12-4-2-1-3-11(12)13(17)18/h1-4,16H,5-10H2,(H,17,18).
What are the key properties of 2-[4-(2-hydroxyethyl)piperazin-1-yl]benzoic acid?
2-[4-(2-hydroxyethyl)piperazin-1-yl]benzoic acid has a molecular weight of 250.30 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)piperazin-1-yl]benzoic acid is sourced from PubChem (CID 25360108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).