2-(4-cyclopropylpiperazin-1-yl)benzoic acid

C14H18N2O2 — CID 28802166

IUPAC2-(4-cyclopropylpiperazin-1-yl)benzoic acid
SMILESO=C(O)c1ccccc1N1CCN(C2CC2)CC1
InChIInChI=1S/C14H18N2O2/c17-14(18)12-3-1-2-4-13(12)16-9-7-15(8-10-16)11-5-6-11/h1-4,11H,5-10H2,(H,17,18)
InChIKeyGMJZUTFYCBLODT-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.67
Rot. Bonds3

About 2-(4-cyclopropylpiperazin-1-yl)benzoic acid

2-(4-cyclopropylpiperazin-1-yl)benzoic acid (PubChem CID 28802166) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(4-cyclopropylpiperazin-1-yl)benzoic acid.

Molecular Properties

Compound Name2-(4-cyclopropylpiperazin-1-yl)benzoic acid
PubChem CID28802166
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(4-cyclopropylpiperazin-1-yl)benzoic acid
SMILESO=C(O)c1ccccc1N1CCN(C2CC2)CC1
InChIInChI=1S/C14H18N2O2/c17-14(18)12-3-1-2-4-13(12)16-9-7-15(8-10-16)11-5-6-11/h1-4,11H,5-10H2,(H,17,18)
InChIKeyGMJZUTFYCBLODT-UHFFFAOYSA-N
XLogP1.67
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)benzoic acid?
The IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)benzoic acid (CID 28802166) is 2-(4-cyclopropylpiperazin-1-yl)benzoic acid.
What is the SMILES notation for 2-(4-cyclopropylpiperazin-1-yl)benzoic acid?
The canonical SMILES for 2-(4-cyclopropylpiperazin-1-yl)benzoic acid is O=C(O)c1ccccc1N1CCN(C2CC2)CC1.
What is the InChIKey of 2-(4-cyclopropylpiperazin-1-yl)benzoic acid?
The InChIKey is GMJZUTFYCBLODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-14(18)12-3-1-2-4-13(12)16-9-7-15(8-10-16)11-5-6-11/h1-4,11H,5-10H2,(H,17,18).
What are the key properties of 2-(4-cyclopropylpiperazin-1-yl)benzoic acid?
2-(4-cyclopropylpiperazin-1-yl)benzoic acid has a molecular weight of 246.31 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylpiperazin-1-yl)benzoic acid is sourced from PubChem (CID 28802166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).