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

C20H23F3N2O — CID 1067851

IUPAC1-[(4-methoxy-3-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCOc1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C
InChIInChI=1S/C20H23F3N2O/c1-15-12-16(6-7-19(15)26-2)14-24-8-10-25(11-9-24)18-5-3-4-17(13-18)20(21,22)23/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyXYBDXDLOPUIIQJ-UHFFFAOYSA-N
MW364.41 g/mol
LogP4.34
Rot. Bonds4

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

1-[(4-methoxy-3-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 1067851) has the molecular formula C20H23F3N2O and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-[(4-methoxy-3-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[(4-methoxy-3-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID1067851
Molecular FormulaC20H23F3N2O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name1-[(4-methoxy-3-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCOc1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C
InChIInChI=1S/C20H23F3N2O/c1-15-12-16(6-7-19(15)26-2)14-24-8-10-25(11-9-24)18-5-3-4-17(13-18)20(21,22)23/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyXYBDXDLOPUIIQJ-UHFFFAOYSA-N
XLogP4.34
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-3-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[(4-methoxy-3-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine (CID 1067851) is 1-[(4-methoxy-3-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[(4-methoxy-3-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[(4-methoxy-3-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine is COc1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C.
What is the InChIKey of 1-[(4-methoxy-3-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is XYBDXDLOPUIIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O/c1-15-12-16(6-7-19(15)26-2)14-24-8-10-25(11-9-24)18-5-3-4-17(13-18)20(21,22)23/h3-7,12-13H,8-11,14H2,1-2H3.
What are the key properties of 1-[(4-methoxy-3-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
1-[(4-methoxy-3-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 364.41 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-3-methylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 1067851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).