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

C19H21F3N2O — CID 1069638

IUPAC1-(4-methoxyphenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCOc1ccc(N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C19H21F3N2O/c1-25-18-7-5-17(6-8-18)24-11-9-23(10-12-24)14-15-3-2-4-16(13-15)19(20,21)22/h2-8,13H,9-12,14H2,1H3
InChIKeyZBHYFAYUXARXDP-UHFFFAOYSA-N
MW350.38 g/mol
LogP4.04
Rot. Bonds4

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

1-(4-methoxyphenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 1069638) has the molecular formula C19H21F3N2O and a molecular weight of 350.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID1069638
Molecular FormulaC19H21F3N2O
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC Name1-(4-methoxyphenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCOc1ccc(N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C19H21F3N2O/c1-25-18-7-5-17(6-8-18)24-11-9-23(10-12-24)14-15-3-2-4-16(13-15)19(20,21)22/h2-8,13H,9-12,14H2,1H3
InChIKeyZBHYFAYUXARXDP-UHFFFAOYSA-N
XLogP4.04
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-(4-methoxyphenyl)-4-[[3-(trifluoromethyl)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-(4-methoxyphenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-(4-methoxyphenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine (CID 1069638) is 1-(4-methoxyphenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine is COc1ccc(N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is ZBHYFAYUXARXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O/c1-25-18-7-5-17(6-8-18)24-11-9-23(10-12-24)14-15-3-2-4-16(13-15)19(20,21)22/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine?
1-(4-methoxyphenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 350.38 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 1069638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).