1-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine

C13H17F3N2 — CID 763606

IUPAC1-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCN1CCN(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C13H17F3N2/c1-17-6-8-18(9-7-17)10-11-4-2-3-5-12(11)13(14,15)16/h2-5H,6-10H2,1H3
InChIKeyVQFFETHTMKZSKT-UHFFFAOYSA-N
MW258.29 g/mol
LogP2.45
Rot. Bonds2

About 1-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine

1-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 763606) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 1-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID763606
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name1-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCN1CCN(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C13H17F3N2/c1-17-6-8-18(9-7-17)10-11-4-2-3-5-12(11)13(14,15)16/h2-5H,6-10H2,1H3
InChIKeyVQFFETHTMKZSKT-UHFFFAOYSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine (CID 763606) is 1-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine is CN1CCN(Cc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is VQFFETHTMKZSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-17-6-8-18(9-7-17)10-11-4-2-3-5-12(11)13(14,15)16/h2-5H,6-10H2,1H3.
What are the key properties of 1-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine?
1-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 258.29 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 763606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).