1-ethyl-4-[4-(trifluoromethyl)phenyl]piperazine

C13H17F3N2 — CID 57070453

IUPAC1-ethyl-4-[4-(trifluoromethyl)phenyl]piperazine
SMILESCCN1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C13H17F3N2/c1-2-17-7-9-18(10-8-17)12-5-3-11(4-6-12)13(14,15)16/h3-6H,2,7-10H2,1H3
InChIKeyOHQXLCDXFOMLNW-UHFFFAOYSA-N
MW258.29 g/mol
LogP2.85
Rot. Bonds2

About 1-ethyl-4-[4-(trifluoromethyl)phenyl]piperazine

1-ethyl-4-[4-(trifluoromethyl)phenyl]piperazine (PubChem CID 57070453) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 1-ethyl-4-[4-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[4-(trifluoromethyl)phenyl]piperazine
PubChem CID57070453
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name1-ethyl-4-[4-(trifluoromethyl)phenyl]piperazine
SMILESCCN1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C13H17F3N2/c1-2-17-7-9-18(10-8-17)12-5-3-11(4-6-12)13(14,15)16/h3-6H,2,7-10H2,1H3
InChIKeyOHQXLCDXFOMLNW-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-ethyl-4-[4-(trifluoromethyl)phenyl]piperazine (CID 57070453) is 1-ethyl-4-[4-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[4-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-ethyl-4-[4-(trifluoromethyl)phenyl]piperazine is CCN1CCN(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-ethyl-4-[4-(trifluoromethyl)phenyl]piperazine?
The InChIKey is OHQXLCDXFOMLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-2-17-7-9-18(10-8-17)12-5-3-11(4-6-12)13(14,15)16/h3-6H,2,7-10H2,1H3.
What are the key properties of 1-ethyl-4-[4-(trifluoromethyl)phenyl]piperazine?
1-ethyl-4-[4-(trifluoromethyl)phenyl]piperazine has a molecular weight of 258.29 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 57070453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).