2-(2-methyl-4-propylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]acetic acid

C17H23F3N2O2 — CID 83980212

IUPAC2-(2-methyl-4-propylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]acetic acid
SMILESCCCN1CCN(C(C(=O)O)c2cccc(C(F)(F)F)c2)C(C)C1
InChIInChI=1S/C17H23F3N2O2/c1-3-7-21-8-9-22(12(2)11-21)15(16(23)24)13-5-4-6-14(10-13)17(18,19)20/h4-6,10,12,15H,3,7-9,11H2,1-2H3,(H,23,24)
InChIKeyQJLWOLCCZJPYSS-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.25
Rot. Bonds5

About 2-(2-methyl-4-propylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]acetic acid

2-(2-methyl-4-propylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]acetic acid (PubChem CID 83980212) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is 2-(2-methyl-4-propylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-(2-methyl-4-propylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]acetic acid
PubChem CID83980212
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name2-(2-methyl-4-propylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]acetic acid
SMILESCCCN1CCN(C(C(=O)O)c2cccc(C(F)(F)F)c2)C(C)C1
InChIInChI=1S/C17H23F3N2O2/c1-3-7-21-8-9-22(12(2)11-21)15(16(23)24)13-5-4-6-14(10-13)17(18,19)20/h4-6,10,12,15H,3,7-9,11H2,1-2H3,(H,23,24)
InChIKeyQJLWOLCCZJPYSS-UHFFFAOYSA-N
XLogP3.25
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-diazepan-1-yl)-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 60994386
tert-butyl (2R)-4-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2-methylpiperazine-1-carboxylate
CID 178149853
2-cyclopropyl-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 82085380
1-propyl-3-[3-(trifluoromethyl)phenyl]piperidine
CID 3053803
3-amino-2-[3-(trifluoromethyl)phenyl]pentanoic acid
CID 57455752
3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propanoic acid
CID 117243283
2-(4-chlorophenyl)-1-[(2S)-2-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 141146785
2-[ethyl(formyl)amino]-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 63688513
1-(4-hydroxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]butan-1-one
CID 111969635
1-piperazin-1-yl-2-[3-(trifluoromethyl)phenyl]butan-1-one;hydrochloride
CID 119402443
1-[3-(4-chlorophenoxy)-3-[3-(trifluoromethyl)phenyl]propyl]-4-methylpiperazine
CID 42867935
3-[3-(trifluoromethyl)phenyl]hexanamide
CID 112509132

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-propylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-(2-methyl-4-propylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]acetic acid (CID 83980212) is 2-(2-methyl-4-propylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-(2-methyl-4-propylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-(2-methyl-4-propylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]acetic acid is CCCN1CCN(C(C(=O)O)c2cccc(C(F)(F)F)c2)C(C)C1.
What is the InChIKey of 2-(2-methyl-4-propylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is QJLWOLCCZJPYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-3-7-21-8-9-22(12(2)11-21)15(16(23)24)13-5-4-6-14(10-13)17(18,19)20/h4-6,10,12,15H,3,7-9,11H2,1-2H3,(H,23,24).
What are the key properties of 2-(2-methyl-4-propylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]acetic acid?
2-(2-methyl-4-propylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 344.38 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-propylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 83980212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).