[4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]methanamine

C14H20F3N3 — CID 80504637

IUPAC[4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]methanamine
SMILESCN1CCN(Cc2ccc(C(F)(F)F)cc2)C(CN)C1
InChIInChI=1S/C14H20F3N3/c1-19-6-7-20(13(8-18)10-19)9-11-2-4-12(5-3-11)14(15,16)17/h2-5,13H,6-10,18H2,1H3
InChIKeyANEDEAKHGLFKOK-UHFFFAOYSA-N
MW287.33 g/mol
LogP1.78
Rot. Bonds3

About [4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]methanamine

[4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]methanamine (PubChem CID 80504637) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is [4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]methanamine
PubChem CID80504637
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name[4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]methanamine
SMILESCN1CCN(Cc2ccc(C(F)(F)F)cc2)C(CN)C1
InChIInChI=1S/C14H20F3N3/c1-19-6-7-20(13(8-18)10-19)9-11-2-4-12(5-3-11)14(15,16)17/h2-5,13H,6-10,18H2,1H3
InChIKeyANEDEAKHGLFKOK-UHFFFAOYSA-N
XLogP1.78
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]methanamine 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

[4-methyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]methanamine
CID 80505367
4-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]phenol
CID 80505171
[1-[(4-chloro-3-fluorophenyl)methyl]-4-methylpiperazin-2-yl]methanamine
CID 80504679
[4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine
CID 103440567
[1-[(4-bromo-3-fluorophenyl)methyl]-4-methylpiperazin-2-yl]methanamine
CID 81436014
[1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperazin-2-yl]methanamine
CID 80506903
methyl 4-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]benzoate
CID 80505658
2-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]phenol
CID 80505653
[4-methyl-1-[(2-methylquinolin-6-yl)methyl]piperazin-2-yl]methanamine
CID 105379017
[1-[(2-chloro-4-fluorophenyl)methyl]-4-methylpiperazin-2-yl]methanamine
CID 80506940
[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine
CID 55209715
[4-methyl-1-(quinolin-6-ylmethyl)piperazin-2-yl]methanamine
CID 80504294

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]methanamine (CID 80504637) is [4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]methanamine is CN1CCN(Cc2ccc(C(F)(F)F)cc2)C(CN)C1.
What is the InChIKey of [4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]methanamine?
The InChIKey is ANEDEAKHGLFKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-19-6-7-20(13(8-18)10-19)9-11-2-4-12(5-3-11)14(15,16)17/h2-5,13H,6-10,18H2,1H3.
What are the key properties of [4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]methanamine?
[4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]methanamine has a molecular weight of 287.33 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]methanamine is sourced from PubChem (CID 80504637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).