2-chloro-5-piperazin-1-ylbenzoic acid

C11H13ClN2O2 — CID 83648477

IUPAC2-chloro-5-piperazin-1-ylbenzoic acid
SMILESO=C(O)c1cc(N2CCNCC2)ccc1Cl
InChIInChI=1S/C11H13ClN2O2/c12-10-2-1-8(7-9(10)11(15)16)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2,(H,15,16)
InChIKeyXWAHXMUIOYOGLI-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.45
Rot. Bonds2

About 2-chloro-5-piperazin-1-ylbenzoic acid

2-chloro-5-piperazin-1-ylbenzoic acid (PubChem CID 83648477) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 2-chloro-5-piperazin-1-ylbenzoic acid.

Molecular Properties

Compound Name2-chloro-5-piperazin-1-ylbenzoic acid
PubChem CID83648477
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name2-chloro-5-piperazin-1-ylbenzoic acid
SMILESO=C(O)c1cc(N2CCNCC2)ccc1Cl
InChIInChI=1S/C11H13ClN2O2/c12-10-2-1-8(7-9(10)11(15)16)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2,(H,15,16)
InChIKeyXWAHXMUIOYOGLI-UHFFFAOYSA-N
XLogP1.45
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-piperazin-1-ylbenzoic acid
CID 84699390
4-(1,4-diazepan-1-yl)-2-methylbenzoic acid
CID 115760457
2-chloro-N-(cyclooctylmethyl)-5-piperazin-1-ylbenzamide;methane
CID 173258924
1-(2-amino-5-piperazin-1-ylphenyl)ethanone
CID 104612700
5-(2-azaspiro[3.3]heptan-2-yl)-2-chlorobenzoic acid
CID 79695464
1-(4-chloro-3-nitrophenyl)piperazine
CID 4738747
2-(4-aminobut-1-ynyl)-5-piperazin-1-ylbenzoic acid
CID 172548766
5-(2-azaspiro[3.5]nonan-2-yl)-2-chlorobenzoic acid
CID 79694936
2-chloro-5-(3-phenylazetidin-1-yl)benzoic acid
CID 79695040
2-chloro-5-(2,5-dioxopyrrolidin-1-yl)benzoic acid
CID 792345
2-chloro-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)benzoic acid
CID 79695358
3,4-dichloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494091

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-piperazin-1-ylbenzoic acid?
The IUPAC name of 2-chloro-5-piperazin-1-ylbenzoic acid (CID 83648477) is 2-chloro-5-piperazin-1-ylbenzoic acid.
What is the SMILES notation for 2-chloro-5-piperazin-1-ylbenzoic acid?
The canonical SMILES for 2-chloro-5-piperazin-1-ylbenzoic acid is O=C(O)c1cc(N2CCNCC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-piperazin-1-ylbenzoic acid?
The InChIKey is XWAHXMUIOYOGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-10-2-1-8(7-9(10)11(15)16)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2,(H,15,16).
What are the key properties of 2-chloro-5-piperazin-1-ylbenzoic acid?
2-chloro-5-piperazin-1-ylbenzoic acid has a molecular weight of 240.69 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-piperazin-1-ylbenzoic acid is sourced from PubChem (CID 83648477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).