N-methyl-2-[4-(2,4,6-trifluorophenyl)piperazin-1-yl]ethanamine

C13H18F3N3 — CID 20770715

IUPACN-methyl-2-[4-(2,4,6-trifluorophenyl)piperazin-1-yl]ethanamine
SMILESCNCCN1CCN(c2c(F)cc(F)cc2F)CC1
InChIInChI=1S/C13H18F3N3/c1-17-2-3-18-4-6-19(7-5-18)13-11(15)8-10(14)9-12(13)16/h8-9,17H,2-7H2,1H3
InChIKeyXUWJLUOAYUZNEX-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.45
Rot. Bonds4

About N-methyl-2-[4-(2,4,6-trifluorophenyl)piperazin-1-yl]ethanamine

N-methyl-2-[4-(2,4,6-trifluorophenyl)piperazin-1-yl]ethanamine (PubChem CID 20770715) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-methyl-2-[4-(2,4,6-trifluorophenyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-(2,4,6-trifluorophenyl)piperazin-1-yl]ethanamine
PubChem CID20770715
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC NameN-methyl-2-[4-(2,4,6-trifluorophenyl)piperazin-1-yl]ethanamine
SMILESCNCCN1CCN(c2c(F)cc(F)cc2F)CC1
InChIInChI=1S/C13H18F3N3/c1-17-2-3-18-4-6-19(7-5-18)13-11(15)8-10(14)9-12(13)16/h8-9,17H,2-7H2,1H3
InChIKeyXUWJLUOAYUZNEX-UHFFFAOYSA-N
XLogP1.45
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(2,4,6-trifluorophenyl)piperazin-1-yl]ethanamine?
The IUPAC name of N-methyl-2-[4-(2,4,6-trifluorophenyl)piperazin-1-yl]ethanamine (CID 20770715) is N-methyl-2-[4-(2,4,6-trifluorophenyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[4-(2,4,6-trifluorophenyl)piperazin-1-yl]ethanamine?
The canonical SMILES for N-methyl-2-[4-(2,4,6-trifluorophenyl)piperazin-1-yl]ethanamine is CNCCN1CCN(c2c(F)cc(F)cc2F)CC1.
What is the InChIKey of N-methyl-2-[4-(2,4,6-trifluorophenyl)piperazin-1-yl]ethanamine?
The InChIKey is XUWJLUOAYUZNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c1-17-2-3-18-4-6-19(7-5-18)13-11(15)8-10(14)9-12(13)16/h8-9,17H,2-7H2,1H3.
What are the key properties of N-methyl-2-[4-(2,4,6-trifluorophenyl)piperazin-1-yl]ethanamine?
N-methyl-2-[4-(2,4,6-trifluorophenyl)piperazin-1-yl]ethanamine has a molecular weight of 273.30 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(2,4,6-trifluorophenyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 20770715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).