1-methyl-4-[[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine

C18H20F3N3O — CID 56713052

IUPAC1-methyl-4-[[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine
SMILESCN1CCN(Cc2ccccc2Oc2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C18H20F3N3O/c1-23-9-11-24(12-10-23)13-14-5-2-3-7-16(14)25-17-15(18(19,20)21)6-4-8-22-17/h2-8H,9-13H2,1H3
InChIKeyPKGIVYBHDPIPAH-UHFFFAOYSA-N
MW351.37 g/mol
LogP3.64
Rot. Bonds4

About 1-methyl-4-[[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine

1-methyl-4-[[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine (PubChem CID 56713052) has the molecular formula C18H20F3N3O and a molecular weight of 351.37 g/mol. Its IUPAC name is 1-methyl-4-[[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine
PubChem CID56713052
Molecular FormulaC18H20F3N3O
Molecular Weight351.37 g/mol
Exact Mass351.16
IUPAC Name1-methyl-4-[[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine
SMILESCN1CCN(Cc2ccccc2Oc2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C18H20F3N3O/c1-23-9-11-24(12-10-23)13-14-5-2-3-7-16(14)25-17-15(18(19,20)21)6-4-8-22-17/h2-8H,9-13H2,1H3
InChIKeyPKGIVYBHDPIPAH-UHFFFAOYSA-N
XLogP3.64
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-4-[[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]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-methyl-4-[[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine?
The IUPAC name of 1-methyl-4-[[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine (CID 56713052) is 1-methyl-4-[[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine?
The canonical SMILES for 1-methyl-4-[[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine is CN1CCN(Cc2ccccc2Oc2ncccc2C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-4-[[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine?
The InChIKey is PKGIVYBHDPIPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O/c1-23-9-11-24(12-10-23)13-14-5-2-3-7-16(14)25-17-15(18(19,20)21)6-4-8-22-17/h2-8H,9-13H2,1H3.
What are the key properties of 1-methyl-4-[[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine?
1-methyl-4-[[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine has a molecular weight of 351.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperazine is sourced from PubChem (CID 56713052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).