2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]propanoic acid

C14H17F3N2O2 — CID 22435906

IUPAC2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]propanoic acid
SMILESCC(C(=O)O)(c1ccc(C(F)(F)F)cc1)N1CCNCC1
InChIInChI=1S/C14H17F3N2O2/c1-13(12(20)21,19-8-6-18-7-9-19)10-2-4-11(5-3-10)14(15,16)17/h2-5,18H,6-9H2,1H3,(H,20,21)
InChIKeyLLDIUQPFGLEBTP-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.91
Rot. Bonds3

About 2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]propanoic acid

2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]propanoic acid (PubChem CID 22435906) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]propanoic acid
PubChem CID22435906
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]propanoic acid
SMILESCC(C(=O)O)(c1ccc(C(F)(F)F)cc1)N1CCNCC1
InChIInChI=1S/C14H17F3N2O2/c1-13(12(20)21,19-8-6-18-7-9-19)10-2-4-11(5-3-10)14(15,16)17/h2-5,18H,6-9H2,1H3,(H,20,21)
InChIKeyLLDIUQPFGLEBTP-UHFFFAOYSA-N
XLogP1.91
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]propanoic 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

2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)propanoic acid
CID 61342532
2-(1,4-diazepan-1-yl)-2-(2,6-difluorophenyl)propanoic acid
CID 60994521
2-(1,4-diazepan-1-yl)-2-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 61048628
2-phenyl-2-piperidin-1-ylpropanoic acid
CID 43803809
2-(azepan-1-yl)-2-(4-bromophenyl)propanoic acid
CID 61057163
2-(1,4-diazepan-1-yl)-2-(2,5-difluorophenyl)propanoic acid
CID 60994245
2-(2,4-dichloro-5-fluorophenyl)-2-piperazin-1-ylpropanoic acid
CID 61002485
methyl 2-[4-(dimethylamino)phenyl]-2-piperazin-1-ylpropanoate
CID 61002598
2-(4-methylsulfanylphenyl)-2-pyrrolidin-1-ylpropanoic acid
CID 43803548
2-fluoro-1-phenyl-2-piperazin-1-ylpropan-1-one
CID 174680761
ethyl 2-(4-bromophenyl)-2-piperazin-1-ylpropanoate
CID 61002025
2-(4-ethoxyphenyl)-2-piperazin-1-ylpropanamide
CID 60992132

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]propanoic acid?
The IUPAC name of 2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]propanoic acid (CID 22435906) is 2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]propanoic acid?
The canonical SMILES for 2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]propanoic acid is CC(C(=O)O)(c1ccc(C(F)(F)F)cc1)N1CCNCC1.
What is the InChIKey of 2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]propanoic acid?
The InChIKey is LLDIUQPFGLEBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-13(12(20)21,19-8-6-18-7-9-19)10-2-4-11(5-3-10)14(15,16)17/h2-5,18H,6-9H2,1H3,(H,20,21).
What are the key properties of 2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]propanoic acid?
2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]propanoic acid has a molecular weight of 302.30 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]propanoic acid is sourced from PubChem (CID 22435906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).