2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine

C13H17F3N2 — CID 11565121

IUPAC2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine
SMILESCC1CN(c2ccc(C(F)(F)F)cc2)C(C)CN1
InChIInChI=1S/C13H17F3N2/c1-9-8-18(10(2)7-17-9)12-5-3-11(4-6-12)13(14,15)16/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeyFYDUFKKWJFNDSY-UHFFFAOYSA-N
MW258.29 g/mol
LogP2.89
Rot. Bonds1

About 2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine

2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine (PubChem CID 11565121) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine
PubChem CID11565121
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine
SMILESCC1CN(c2ccc(C(F)(F)F)cc2)C(C)CN1
InChIInChI=1S/C13H17F3N2/c1-9-8-18(10(2)7-17-9)12-5-3-11(4-6-12)13(14,15)16/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeyFYDUFKKWJFNDSY-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine (CID 11565121) is 2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine is CC1CN(c2ccc(C(F)(F)F)cc2)C(C)CN1.
What is the InChIKey of 2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine?
The InChIKey is FYDUFKKWJFNDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-9-8-18(10(2)7-17-9)12-5-3-11(4-6-12)13(14,15)16/h3-6,9-10,17H,7-8H2,1-2H3.
What are the key properties of 2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine?
2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine has a molecular weight of 258.29 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 11565121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).