2-[2-(4-benzylpiperazin-1-yl)ethoxy]benzoic acid

C20H24N2O3 — CID 23009919

IUPAC2-[2-(4-benzylpiperazin-1-yl)ethoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H24N2O3/c23-20(24)18-8-4-5-9-19(18)25-15-14-21-10-12-22(13-11-21)16-17-6-2-1-3-7-17/h1-9H,10-16H2,(H,23,24)
InChIKeyBMLZCCHABZNKKB-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.58
Rot. Bonds7

About 2-[2-(4-benzylpiperazin-1-yl)ethoxy]benzoic acid

2-[2-(4-benzylpiperazin-1-yl)ethoxy]benzoic acid (PubChem CID 23009919) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[2-(4-benzylpiperazin-1-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-(4-benzylpiperazin-1-yl)ethoxy]benzoic acid
PubChem CID23009919
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-[2-(4-benzylpiperazin-1-yl)ethoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H24N2O3/c23-20(24)18-8-4-5-9-19(18)25-15-14-21-10-12-22(13-11-21)16-17-6-2-1-3-7-17/h1-9H,10-16H2,(H,23,24)
InChIKeyBMLZCCHABZNKKB-UHFFFAOYSA-N
XLogP2.58
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-thiomorpholin-4-ylethoxy)benzoic acid
CID 43532595
2-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]benzoic acid
CID 43532589
2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethoxy]benzoic acid
CID 22680945
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(2-methoxyethoxy)benzamide
CID 55997633
2-[2-(1,4-oxazepan-4-yl)ethoxy]benzoic acid
CID 55134744
2-[2-(4-methylazepan-1-yl)ethoxy]benzoic acid
CID 63622429
1,2-bis[2-[2-(azocan-1-yl)ethoxy]phenyl]ethane-1,2-dione
CID 21486308
2-[2-(4-ethyl-3-methylpiperazin-1-yl)ethoxy]benzoic acid
CID 63608700
2-(4-benzylpiperazin-1-yl)ethyl benzoate
CID 24842101
2-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]benzoic acid
CID 63068279
1-benzyl-4-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]piperazine;oxalic acid
CID 2924395
2-[2-(3-anilinopyrrolidin-1-yl)ethoxy]benzoic acid
CID 167821181

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-benzylpiperazin-1-yl)ethoxy]benzoic acid?
The IUPAC name of 2-[2-(4-benzylpiperazin-1-yl)ethoxy]benzoic acid (CID 23009919) is 2-[2-(4-benzylpiperazin-1-yl)ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-(4-benzylpiperazin-1-yl)ethoxy]benzoic acid?
The canonical SMILES for 2-[2-(4-benzylpiperazin-1-yl)ethoxy]benzoic acid is O=C(O)c1ccccc1OCCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[2-(4-benzylpiperazin-1-yl)ethoxy]benzoic acid?
The InChIKey is BMLZCCHABZNKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-20(24)18-8-4-5-9-19(18)25-15-14-21-10-12-22(13-11-21)16-17-6-2-1-3-7-17/h1-9H,10-16H2,(H,23,24).
What are the key properties of 2-[2-(4-benzylpiperazin-1-yl)ethoxy]benzoic acid?
2-[2-(4-benzylpiperazin-1-yl)ethoxy]benzoic acid has a molecular weight of 340.42 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-benzylpiperazin-1-yl)ethoxy]benzoic acid is sourced from PubChem (CID 23009919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).