5-[4-[2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]phenyl]pentanoic acid

C24H29F3N2O3 — CID 71155087

IUPAC5-[4-[2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]phenyl]pentanoic acid
SMILESO=C(O)CCCCc1ccc(OCCN2CCN(c3ccccc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C24H29F3N2O3/c25-24(26,27)21-6-2-3-7-22(21)29-15-13-28(14-16-29)17-18-32-20-11-9-19(10-12-20)5-1-4-8-23(30)31/h2-3,6-7,9-12H,1,4-5,8,13-18H2,(H,30,31)
InChIKeyRJXIFVRFSHMKLF-UHFFFAOYSA-N
MW450.50 g/mol
LogP4.70
Rot. Bonds10

About 5-[4-[2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]phenyl]pentanoic acid

5-[4-[2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]phenyl]pentanoic acid (PubChem CID 71155087) has the molecular formula C24H29F3N2O3 and a molecular weight of 450.50 g/mol. Its IUPAC name is 5-[4-[2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]phenyl]pentanoic acid.

Molecular Properties

Compound Name5-[4-[2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]phenyl]pentanoic acid
PubChem CID71155087
Molecular FormulaC24H29F3N2O3
Molecular Weight450.50 g/mol
Exact Mass450.21
IUPAC Name5-[4-[2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]phenyl]pentanoic acid
SMILESO=C(O)CCCCc1ccc(OCCN2CCN(c3ccccc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C24H29F3N2O3/c25-24(26,27)21-6-2-3-7-22(21)29-15-13-28(14-16-29)17-18-32-20-11-9-19(10-12-20)5-1-4-8-23(30)31/h2-3,6-7,9-12H,1,4-5,8,13-18H2,(H,30,31)
InChIKeyRJXIFVRFSHMKLF-UHFFFAOYSA-N
XLogP4.70
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[4-[2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]phenyl]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(2-phenoxyethyl)piperazin-1-yl]butanoic acid
CID 119134542
6-[4-(3-piperidin-1-ylpropoxy)phenyl]hexanoic acid
CID 142626546
6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-amine
CID 139693229
[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl carbamate
CID 44538760
1-[2-(4-fluorophenoxy)ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 67298873
4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid
CID 20994315
6-(4-phenylmethoxyphenyl)hexanoic acid
CID 138486172
7-[4-[4-[2-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 66633428
1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine
CID 23540082
5-phenyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pentan-1-one
CID 54372939
7-(4-hexylphenoxy)heptanoic acid
CID 54502336
4,4,4-trifluoro-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one
CID 70730336

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]phenyl]pentanoic acid?
The IUPAC name of 5-[4-[2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]phenyl]pentanoic acid (CID 71155087) is 5-[4-[2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]phenyl]pentanoic acid.
What is the SMILES notation for 5-[4-[2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]phenyl]pentanoic acid?
The canonical SMILES for 5-[4-[2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]phenyl]pentanoic acid is O=C(O)CCCCc1ccc(OCCN2CCN(c3ccccc3C(F)(F)F)CC2)cc1.
What is the InChIKey of 5-[4-[2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]phenyl]pentanoic acid?
The InChIKey is RJXIFVRFSHMKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N2O3/c25-24(26,27)21-6-2-3-7-22(21)29-15-13-28(14-16-29)17-18-32-20-11-9-19(10-12-20)5-1-4-8-23(30)31/h2-3,6-7,9-12H,1,4-5,8,13-18H2,(H,30,31).
What are the key properties of 5-[4-[2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]phenyl]pentanoic acid?
5-[4-[2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]phenyl]pentanoic acid has a molecular weight of 450.50 g/mol, XLogP of 4.70, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]phenyl]pentanoic acid is sourced from PubChem (CID 71155087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).