2-(4-ethyl-3-methylpiperazin-1-yl)-4-methylbenzoic acid

C15H22N2O2 — CID 63603586

IUPAC2-(4-ethyl-3-methylpiperazin-1-yl)-4-methylbenzoic acid
SMILESCCN1CCN(c2cc(C)ccc2C(=O)O)CC1C
InChIInChI=1S/C15H22N2O2/c1-4-16-7-8-17(10-12(16)3)14-9-11(2)5-6-13(14)15(18)19/h5-6,9,12H,4,7-8,10H2,1-3H3,(H,18,19)
InChIKeyFJFVPHBIHGKAIG-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.22
Rot. Bonds3

About 2-(4-ethyl-3-methylpiperazin-1-yl)-4-methylbenzoic acid

2-(4-ethyl-3-methylpiperazin-1-yl)-4-methylbenzoic acid (PubChem CID 63603586) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(4-ethyl-3-methylpiperazin-1-yl)-4-methylbenzoic acid.

Molecular Properties

Compound Name2-(4-ethyl-3-methylpiperazin-1-yl)-4-methylbenzoic acid
PubChem CID63603586
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(4-ethyl-3-methylpiperazin-1-yl)-4-methylbenzoic acid
SMILESCCN1CCN(c2cc(C)ccc2C(=O)O)CC1C
InChIInChI=1S/C15H22N2O2/c1-4-16-7-8-17(10-12(16)3)14-9-11(2)5-6-13(14)15(18)19/h5-6,9,12H,4,7-8,10H2,1-3H3,(H,18,19)
InChIKeyFJFVPHBIHGKAIG-UHFFFAOYSA-N
XLogP2.22
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)benzoic acid
CID 79170933
4-methyl-2-piperidin-1-ylbenzoic acid
CID 62710167
1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-one
CID 112677439
4-methyl-2-(4-propylpiperidin-1-yl)benzoic acid
CID 62700990
4-methyl-2-(4-methylazepan-1-yl)benzoic acid
CID 63627425
methyl 4-amino-3-(4-ethyl-3-methylpiperazin-1-yl)benzoate
CID 82796254
4-methyl-2-(3-methylideneazetidin-1-yl)benzoic acid
CID 164659394
4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]benzoic acid
CID 62970275
[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methanol
CID 63608891
4-chloro-2-(4-ethyl-3-methylpiperazin-1-yl)benzenecarboximidamide
CID 63611102
[3-chloro-4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methanol
CID 81151024
5-(4-ethyl-3-methylpiperazin-1-yl)pyridine-2-carboxylic acid
CID 113321627

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3-methylpiperazin-1-yl)-4-methylbenzoic acid?
The IUPAC name of 2-(4-ethyl-3-methylpiperazin-1-yl)-4-methylbenzoic acid (CID 63603586) is 2-(4-ethyl-3-methylpiperazin-1-yl)-4-methylbenzoic acid.
What is the SMILES notation for 2-(4-ethyl-3-methylpiperazin-1-yl)-4-methylbenzoic acid?
The canonical SMILES for 2-(4-ethyl-3-methylpiperazin-1-yl)-4-methylbenzoic acid is CCN1CCN(c2cc(C)ccc2C(=O)O)CC1C.
What is the InChIKey of 2-(4-ethyl-3-methylpiperazin-1-yl)-4-methylbenzoic acid?
The InChIKey is FJFVPHBIHGKAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-16-7-8-17(10-12(16)3)14-9-11(2)5-6-13(14)15(18)19/h5-6,9,12H,4,7-8,10H2,1-3H3,(H,18,19).
What are the key properties of 2-(4-ethyl-3-methylpiperazin-1-yl)-4-methylbenzoic acid?
2-(4-ethyl-3-methylpiperazin-1-yl)-4-methylbenzoic acid has a molecular weight of 262.35 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3-methylpiperazin-1-yl)-4-methylbenzoic acid is sourced from PubChem (CID 63603586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).