1-(2-methoxyphenyl)-4-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]methyl]piperazine

C23H24F3N3O — CID 14198546

IUPAC1-(2-methoxyphenyl)-4-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]methyl]piperazine
SMILESCOc1ccccc1N1CCN(Cc2ccc(-c3ccc(C(F)(F)F)cc3)[nH]2)CC1
InChIInChI=1S/C23H24F3N3O/c1-30-22-5-3-2-4-21(22)29-14-12-28(13-15-29)16-19-10-11-20(27-19)17-6-8-18(9-7-17)23(24,25)26/h2-11,27H,12-16H2,1H3
InChIKeyWUVWCDVPHNGEEU-UHFFFAOYSA-N
MW415.46 g/mol
LogP5.03
Rot. Bonds5

About 1-(2-methoxyphenyl)-4-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]methyl]piperazine

1-(2-methoxyphenyl)-4-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]methyl]piperazine (PubChem CID 14198546) has the molecular formula C23H24F3N3O and a molecular weight of 415.46 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]methyl]piperazine
PubChem CID14198546
Molecular FormulaC23H24F3N3O
Molecular Weight415.46 g/mol
Exact Mass415.19
IUPAC Name1-(2-methoxyphenyl)-4-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]methyl]piperazine
SMILESCOc1ccccc1N1CCN(Cc2ccc(-c3ccc(C(F)(F)F)cc3)[nH]2)CC1
InChIInChI=1S/C23H24F3N3O/c1-30-22-5-3-2-4-21(22)29-14-12-28(13-15-29)16-19-10-11-20(27-19)17-6-8-18(9-7-17)23(24,25)26/h2-11,27H,12-16H2,1H3
InChIKeyWUVWCDVPHNGEEU-UHFFFAOYSA-N
XLogP5.03
TPSA31.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.46
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-methoxyphenyl)-4-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]methyl]piperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]methyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]methyl]piperazine (CID 14198546) is 1-(2-methoxyphenyl)-4-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]methyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]methyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]methyl]piperazine is COc1ccccc1N1CCN(Cc2ccc(-c3ccc(C(F)(F)F)cc3)[nH]2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]methyl]piperazine?
The InChIKey is WUVWCDVPHNGEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O/c1-30-22-5-3-2-4-21(22)29-14-12-28(13-15-29)16-19-10-11-20(27-19)17-6-8-18(9-7-17)23(24,25)26/h2-11,27H,12-16H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]methyl]piperazine?
1-(2-methoxyphenyl)-4-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]methyl]piperazine has a molecular weight of 415.46 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]methyl]piperazine is sourced from PubChem (CID 14198546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).