4-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-amine

C13H18F3N3O — CID 83008958

IUPAC4-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-amine
SMILESCN1CCN(NCc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C13H18F3N3O/c1-18-6-8-19(9-7-18)17-10-11-2-4-12(5-3-11)20-13(14,15)16/h2-5,17H,6-10H2,1H3
InChIKeyMUDPZOCLOKQPEC-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.84
Rot. Bonds4

About 4-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-amine

4-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-amine (PubChem CID 83008958) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 4-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-amine
PubChem CID83008958
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name4-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-amine
SMILESCN1CCN(NCc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C13H18F3N3O/c1-18-6-8-19(9-7-18)17-10-11-2-4-12(5-3-11)20-13(14,15)16/h2-5,17H,6-10H2,1H3
InChIKeyMUDPZOCLOKQPEC-UHFFFAOYSA-N
XLogP1.84
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 43216489
1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
CID 61212894
N'-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]oxamide
CID 44999026
N-[(1-methylpyrazol-4-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 60707327
1-[(2R)-4-methylmorpholin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 95275069
N-[[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 28586305
N-ethoxy-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 60727411
1-methyl-4-[[(2S,5R)-5-[[4-(trifluoromethoxy)phenyl]methyl]oxolan-2-yl]methyl]piperazine
CID 133134797
N-[[4-(trifluoromethoxy)phenyl]methyl]prop-2-yn-1-amine
CID 158554259
2-N,2-N,2-trimethyl-1-N-[[4-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine
CID 28651878
4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-amine
CID 80503081
1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
CID 63454373

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-amine?
The IUPAC name of 4-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-amine (CID 83008958) is 4-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-amine.
What is the SMILES notation for 4-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-amine?
The canonical SMILES for 4-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-amine is CN1CCN(NCc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 4-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-amine?
The InChIKey is MUDPZOCLOKQPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-18-6-8-19(9-7-18)17-10-11-2-4-12(5-3-11)20-13(14,15)16/h2-5,17H,6-10H2,1H3.
What are the key properties of 4-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-amine?
4-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-amine has a molecular weight of 289.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-amine is sourced from PubChem (CID 83008958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).