4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-amine

C13H18F3N3 — CID 80503081

IUPAC4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-amine
SMILESCN1CCN(NCc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C13H18F3N3/c1-18-6-8-19(9-7-18)17-10-11-4-2-3-5-12(11)13(14,15)16/h2-5,17H,6-10H2,1H3
InChIKeyPQTAJYRPJUXHFU-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.96
Rot. Bonds3

About 4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-amine

4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-amine (PubChem CID 80503081) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is 4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-amine
PubChem CID80503081
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC Name4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-amine
SMILESCN1CCN(NCc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C13H18F3N3/c1-18-6-8-19(9-7-18)17-10-11-4-2-3-5-12(11)13(14,15)16/h2-5,17H,6-10H2,1H3
InChIKeyPQTAJYRPJUXHFU-UHFFFAOYSA-N
XLogP1.96
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[3-[2-(trifluoromethyl)phenyl]propyl]piperazine
CID 170862295
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N-[(2,4-difluorophenyl)methyl]-4-methylpiperazin-1-amine
CID 80503148
2-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60697098
1-(4-methylpiperazin-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one
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1-(4-methylpiperazin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone
CID 171907358
4-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-amine
CID 83008958
1-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 43435870
2,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine
CID 64909083
N-ethoxy-1-[2-(trifluoromethyl)phenyl]methanamine
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3-methyl-3-[[2-(trifluoromethyl)phenyl]methylamino]butan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-amine?
The IUPAC name of 4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-amine (CID 80503081) is 4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-amine.
What is the SMILES notation for 4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-amine?
The canonical SMILES for 4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-amine is CN1CCN(NCc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-amine?
The InChIKey is PQTAJYRPJUXHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c1-18-6-8-19(9-7-18)17-10-11-4-2-3-5-12(11)13(14,15)16/h2-5,17H,6-10H2,1H3.
What are the key properties of 4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-amine?
4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-amine has a molecular weight of 273.30 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-amine is sourced from PubChem (CID 80503081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).