3-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]piperazine

C13H17F3N2 — CID 66477775

IUPAC3-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]piperazine
SMILESCc1ccc(C(F)(F)F)cc1N1CCNC(C)C1
InChIInChI=1S/C13H17F3N2/c1-9-3-4-11(13(14,15)16)7-12(9)18-6-5-17-10(2)8-18/h3-4,7,10,17H,5-6,8H2,1-2H3
InChIKeyQADHYTUDUNNXTH-UHFFFAOYSA-N
MW258.29 g/mol
LogP2.81
Rot. Bonds1

About 3-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]piperazine

3-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]piperazine (PubChem CID 66477775) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 3-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name3-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]piperazine
PubChem CID66477775
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name3-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]piperazine
SMILESCc1ccc(C(F)(F)F)cc1N1CCNC(C)C1
InChIInChI=1S/C13H17F3N2/c1-9-3-4-11(13(14,15)16)7-12(9)18-6-5-17-10(2)8-18/h3-4,7,10,17H,5-6,8H2,1-2H3
InChIKeyQADHYTUDUNNXTH-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 3-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]piperazine (CID 66477775) is 3-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 3-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 3-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]piperazine is Cc1ccc(C(F)(F)F)cc1N1CCNC(C)C1.
What is the InChIKey of 3-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]piperazine?
The InChIKey is QADHYTUDUNNXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-9-3-4-11(13(14,15)16)7-12(9)18-6-5-17-10(2)8-18/h3-4,7,10,17H,5-6,8H2,1-2H3.
What are the key properties of 3-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]piperazine?
3-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]piperazine has a molecular weight of 258.29 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 66477775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).