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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Related Compounds

1-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-3-methylpiperazine
CID 64926462
1-(3,4-dimethylphenyl)-3-ethyl-3-methylpiperazine
CID 64926797
5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylpiperazine
CID 64935551
3-ethyl-1-(3-fluoro-4-methylphenyl)-3-methyl-1,4-diazepane
CID 64943895
1-(3-bromo-4-iodophenyl)-3-ethyl-3-methylpiperazine
CID 114262418
1-(2,6-difluoro-3-methylphenyl)-3-ethyl-3-methylpiperazine
CID 82819376
3-ethyl-1-(2-fluorophenyl)-3-methylpiperazine
CID 64924410
1-(2,5-dichlorophenyl)-3-ethyl-3-methylpiperazine
CID 64924867
9-[4-methyl-3-(trifluoromethyl)phenyl]-6,9-diazaspiro[4.5]decane
CID 64954522
3-ethyl-3-methyl-1-naphthalen-2-yl-1,4-diazepane
CID 64949149
1-(3-chloro-5-fluorophenyl)-3-ethyl-3-methyl-1,4-diazepane
CID 107370824
1-(2-bromo-4-fluorophenyl)-3-ethyl-3-methylpiperazine
CID 64924108

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).