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

C15H21F3N2 — CID 64978991

IUPAC2,5-dimethyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperazine
SMILESCC1CN(C(C)c2ccc(C(F)(F)F)cc2)C(C)CN1
InChIInChI=1S/C15H21F3N2/c1-10-9-20(11(2)8-19-10)12(3)13-4-6-14(7-5-13)15(16,17)18/h4-7,10-12,19H,8-9H2,1-3H3
InChIKeyIUCBLVOHRWOZDY-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.45
Rot. Bonds2

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

2,5-dimethyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperazine (PubChem CID 64978991) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2,5-dimethyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperazine.

Molecular Properties

Compound Name2,5-dimethyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperazine
PubChem CID64978991
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name2,5-dimethyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperazine
SMILESCC1CN(C(C)c2ccc(C(F)(F)F)cc2)C(C)CN1
InChIInChI=1S/C15H21F3N2/c1-10-9-20(11(2)8-19-10)12(3)13-4-6-14(7-5-13)15(16,17)18/h4-7,10-12,19H,8-9H2,1-3H3
InChIKeyIUCBLVOHRWOZDY-UHFFFAOYSA-N
XLogP3.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.45
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-[1-[4-(trifluoromethyl)phenyl]ethyl]piperazine?
The IUPAC name of 2,5-dimethyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperazine (CID 64978991) is 2,5-dimethyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperazine.
What is the SMILES notation for 2,5-dimethyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperazine?
The canonical SMILES for 2,5-dimethyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperazine is CC1CN(C(C)c2ccc(C(F)(F)F)cc2)C(C)CN1.
What is the InChIKey of 2,5-dimethyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperazine?
The InChIKey is IUCBLVOHRWOZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-10-9-20(11(2)8-19-10)12(3)13-4-6-14(7-5-13)15(16,17)18/h4-7,10-12,19H,8-9H2,1-3H3.
What are the key properties of 2,5-dimethyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperazine?
2,5-dimethyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperazine has a molecular weight of 286.34 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperazine is sourced from PubChem (CID 64978991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).