3-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpiperazine

C14H18F4N2 — CID 64926311

IUPAC3-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpiperazine
SMILESCCC1(C)CN(c2ccc(F)c(C(F)(F)F)c2)CCN1
InChIInChI=1S/C14H18F4N2/c1-3-13(2)9-20(7-6-19-13)10-4-5-12(15)11(8-10)14(16,17)18/h4-5,8,19H,3,6-7,9H2,1-2H3
InChIKeyILRUUFIDCSNZQT-UHFFFAOYSA-N
MW290.30 g/mol
LogP3.42
Rot. Bonds2

About 3-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpiperazine

3-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpiperazine (PubChem CID 64926311) has the molecular formula C14H18F4N2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 3-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpiperazine.

Molecular Properties

Compound Name3-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpiperazine
PubChem CID64926311
Molecular FormulaC14H18F4N2
Molecular Weight290.30 g/mol
Exact Mass290.14
IUPAC Name3-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpiperazine
SMILESCCC1(C)CN(c2ccc(F)c(C(F)(F)F)c2)CCN1
InChIInChI=1S/C14H18F4N2/c1-3-13(2)9-20(7-6-19-13)10-4-5-12(15)11(8-10)14(16,17)18/h4-5,8,19H,3,6-7,9H2,1-2H3
InChIKeyILRUUFIDCSNZQT-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpiperazine?
The IUPAC name of 3-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpiperazine (CID 64926311) is 3-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpiperazine.
What is the SMILES notation for 3-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpiperazine?
The canonical SMILES for 3-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpiperazine is CCC1(C)CN(c2ccc(F)c(C(F)(F)F)c2)CCN1.
What is the InChIKey of 3-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpiperazine?
The InChIKey is ILRUUFIDCSNZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2/c1-3-13(2)9-20(7-6-19-13)10-4-5-12(15)11(8-10)14(16,17)18/h4-5,8,19H,3,6-7,9H2,1-2H3.
What are the key properties of 3-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpiperazine?
3-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpiperazine has a molecular weight of 290.30 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpiperazine is sourced from PubChem (CID 64926311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).