2,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine

C14H19F3N2O — CID 64978933

IUPAC2,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine
SMILESCC1CN(Cc2ccc(OC(F)(F)F)cc2)C(C)CN1
InChIInChI=1S/C14H19F3N2O/c1-10-8-19(11(2)7-18-10)9-12-3-5-13(6-4-12)20-14(15,16)17/h3-6,10-11,18H,7-9H2,1-2H3
InChIKeyUPZYTTWEXITFQD-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.77
Rot. Bonds3

About 2,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine

2,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine (PubChem CID 64978933) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine.

Molecular Properties

Compound Name2,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine
PubChem CID64978933
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine
SMILESCC1CN(Cc2ccc(OC(F)(F)F)cc2)C(C)CN1
InChIInChI=1S/C14H19F3N2O/c1-10-8-19(11(2)7-18-10)9-12-3-5-13(6-4-12)20-14(15,16)17/h3-6,10-11,18H,7-9H2,1-2H3
InChIKeyUPZYTTWEXITFQD-UHFFFAOYSA-N
XLogP2.77
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5-dimethyl-1-[[4-(trifluoromethoxy)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 2,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine?
The IUPAC name of 2,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine (CID 64978933) is 2,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine.
What is the SMILES notation for 2,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine?
The canonical SMILES for 2,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine is CC1CN(Cc2ccc(OC(F)(F)F)cc2)C(C)CN1.
What is the InChIKey of 2,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine?
The InChIKey is UPZYTTWEXITFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-10-8-19(11(2)7-18-10)9-12-3-5-13(6-4-12)20-14(15,16)17/h3-6,10-11,18H,7-9H2,1-2H3.
What are the key properties of 2,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine?
2,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine has a molecular weight of 288.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine is sourced from PubChem (CID 64978933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).