2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethoxy]benzoic acid

C19H21ClN2O3 — CID 22680945

IUPAC2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H21ClN2O3/c20-15-4-3-5-16(14-15)22-10-8-21(9-11-22)12-13-25-18-7-2-1-6-17(18)19(23)24/h1-7,14H,8-13H2,(H,23,24)
InChIKeyAABSYZKUNYBYBF-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.24
Rot. Bonds6

About 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethoxy]benzoic acid

2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethoxy]benzoic acid (PubChem CID 22680945) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethoxy]benzoic acid
PubChem CID22680945
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H21ClN2O3/c20-15-4-3-5-16(14-15)22-10-8-21(9-11-22)12-13-25-18-7-2-1-6-17(18)19(23)24/h1-7,14H,8-13H2,(H,23,24)
InChIKeyAABSYZKUNYBYBF-UHFFFAOYSA-N
XLogP3.24
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]benzamide
CID 24773437
2-[2-(4-benzylpiperazin-1-yl)ethoxy]benzoic acid
CID 23009919
1-(3-chlorophenyl)-4-[4-(2,3-dihydro-1H-inden-4-yloxy)butyl]piperazine
CID 20532665
2-(2-thiomorpholin-4-ylethoxy)benzoic acid
CID 43532595
2-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]benzoic acid
CID 43532589
phenyl 2-[4-(3-chlorophenyl)piperazin-1-yl]ethanesulfonate
CID 8529702
1-(3-chlorophenyl)-4-[1-(2-ethoxyphenyl)ethenyl]piperazine
CID 142954737
2-[2-(1,4-oxazepan-4-yl)ethoxy]benzoic acid
CID 55134744
6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-2,3-dihydro-1H-inden-5-ol;hydrochloride
CID 45260924
3-(4-benzylpiperazin-1-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
CID 155565209
2-[2-(4-methylazepan-1-yl)ethoxy]benzoic acid
CID 63622429
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethoxy]benzoic acid?
The IUPAC name of 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethoxy]benzoic acid (CID 22680945) is 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethoxy]benzoic acid?
The canonical SMILES for 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethoxy]benzoic acid is O=C(O)c1ccccc1OCCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethoxy]benzoic acid?
The InChIKey is AABSYZKUNYBYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c20-15-4-3-5-16(14-15)22-10-8-21(9-11-22)12-13-25-18-7-2-1-6-17(18)19(23)24/h1-7,14H,8-13H2,(H,23,24).
What are the key properties of 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethoxy]benzoic acid?
2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethoxy]benzoic acid has a molecular weight of 360.84 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethoxy]benzoic acid is sourced from PubChem (CID 22680945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).