2-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]acetic acid

C16H24N2O3 — CID 43521786

IUPAC2-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]acetic acid
SMILESCc1ccc(C)c(OCCN2CCN(CC(=O)O)CC2)c1
InChIInChI=1S/C16H24N2O3/c1-13-3-4-14(2)15(11-13)21-10-9-17-5-7-18(8-6-17)12-16(19)20/h3-4,11H,5-10,12H2,1-2H3,(H,19,20)
InChIKeyMWWGQZPBGWJPKM-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.38
Rot. Bonds6

About 2-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]acetic acid

2-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]acetic acid (PubChem CID 43521786) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]acetic acid
PubChem CID43521786
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]acetic acid
SMILESCc1ccc(C)c(OCCN2CCN(CC(=O)O)CC2)c1
InChIInChI=1S/C16H24N2O3/c1-13-3-4-14(2)15(11-13)21-10-9-17-5-7-18(8-6-17)12-16(19)20/h3-4,11H,5-10,12H2,1-2H3,(H,19,20)
InChIKeyMWWGQZPBGWJPKM-UHFFFAOYSA-N
XLogP1.38
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2,5-dimethylphenoxy)butyl]aziridine
CID 125464507
4-methyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]benzoic acid
CID 82889522
1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-3,4-diol
CID 106672249
1-(azetidin-3-yl)-4-[2-(2,5-dimethylphenoxy)ethyl]piperazine
CID 66202000
[1-[2-(2,5-dimethylphenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate
CID 70421830
methyl 1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-3-carboxylate
CID 112730693
4-[4-(2,5-dimethylphenoxy)butyl]morpholine
CID 2245898
7-(2,5-dimethylphenoxy)heptanoic acid
CID 39353078
1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 43441878
1-[4-(2,5-dimethylphenoxy)butyl]-4-methylpiperidine
CID 40804379
1-[2-(2,5-dimethylphenoxy)ethyl]-3-methylpiperidin-4-ol
CID 114681408
(2S)-1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 75430248

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]acetic acid (CID 43521786) is 2-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]acetic acid is Cc1ccc(C)c(OCCN2CCN(CC(=O)O)CC2)c1.
What is the InChIKey of 2-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]acetic acid?
The InChIKey is MWWGQZPBGWJPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-13-3-4-14(2)15(11-13)21-10-9-17-5-7-18(8-6-17)12-16(19)20/h3-4,11H,5-10,12H2,1-2H3,(H,19,20).
What are the key properties of 2-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]acetic acid?
2-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]acetic acid has a molecular weight of 292.38 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 43521786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).