1-[2-methoxy-5-(trifluoromethyl)phenyl]-4-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperazine

C26H24F6N2O — CID 21186157

IUPAC1-[2-methoxy-5-(trifluoromethyl)phenyl]-4-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperazine
SMILESCOc1ccc(C(F)(F)F)cc1N1CCN(Cc2cccc(-c3ccc(C(F)(F)F)cc3)c2)CC1
InChIInChI=1S/C26H24F6N2O/c1-35-24-10-9-22(26(30,31)32)16-23(24)34-13-11-33(12-14-34)17-18-3-2-4-20(15-18)19-5-7-21(8-6-19)25(27,28)29/h2-10,15-16H,11-14,17H2,1H3
InChIKeyOHVJPLKPCDIPGP-UHFFFAOYSA-N
MW494.48 g/mol
LogP6.72
Rot. Bonds5

About 1-[2-methoxy-5-(trifluoromethyl)phenyl]-4-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperazine

1-[2-methoxy-5-(trifluoromethyl)phenyl]-4-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperazine (PubChem CID 21186157) has the molecular formula C26H24F6N2O and a molecular weight of 494.48 g/mol. Its IUPAC name is 1-[2-methoxy-5-(trifluoromethyl)phenyl]-4-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[2-methoxy-5-(trifluoromethyl)phenyl]-4-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperazine
PubChem CID21186157
Molecular FormulaC26H24F6N2O
Molecular Weight494.48 g/mol
Exact Mass494.18
IUPAC Name1-[2-methoxy-5-(trifluoromethyl)phenyl]-4-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperazine
SMILESCOc1ccc(C(F)(F)F)cc1N1CCN(Cc2cccc(-c3ccc(C(F)(F)F)cc3)c2)CC1
InChIInChI=1S/C26H24F6N2O/c1-35-24-10-9-22(26(30,31)32)16-23(24)34-13-11-33(12-14-34)17-18-3-2-4-20(15-18)19-5-7-21(8-6-19)25(27,28)29/h2-10,15-16H,11-14,17H2,1H3
InChIKeyOHVJPLKPCDIPGP-UHFFFAOYSA-N
XLogP6.72
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.48
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-methoxy-5-(trifluoromethyl)phenyl]-4-[[3-[4-(trifluoromethyl)phenyl]phenyl]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-methoxy-5-(trifluoromethyl)phenyl]-4-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperazine?
The IUPAC name of 1-[2-methoxy-5-(trifluoromethyl)phenyl]-4-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperazine (CID 21186157) is 1-[2-methoxy-5-(trifluoromethyl)phenyl]-4-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperazine.
What is the SMILES notation for 1-[2-methoxy-5-(trifluoromethyl)phenyl]-4-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperazine?
The canonical SMILES for 1-[2-methoxy-5-(trifluoromethyl)phenyl]-4-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperazine is COc1ccc(C(F)(F)F)cc1N1CCN(Cc2cccc(-c3ccc(C(F)(F)F)cc3)c2)CC1.
What is the InChIKey of 1-[2-methoxy-5-(trifluoromethyl)phenyl]-4-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperazine?
The InChIKey is OHVJPLKPCDIPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F6N2O/c1-35-24-10-9-22(26(30,31)32)16-23(24)34-13-11-33(12-14-34)17-18-3-2-4-20(15-18)19-5-7-21(8-6-19)25(27,28)29/h2-10,15-16H,11-14,17H2,1H3.
What are the key properties of 1-[2-methoxy-5-(trifluoromethyl)phenyl]-4-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperazine?
1-[2-methoxy-5-(trifluoromethyl)phenyl]-4-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperazine has a molecular weight of 494.48 g/mol, XLogP of 6.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-5-(trifluoromethyl)phenyl]-4-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperazine is sourced from PubChem (CID 21186157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).