5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylpiperazine

C15H20F4N2 — CID 64935551

IUPAC5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylpiperazine
SMILESCCC1(C)CN(c2ccc(F)c(C(F)(F)F)c2)C(C)CN1
InChIInChI=1S/C15H20F4N2/c1-4-14(3)9-21(10(2)8-20-14)11-5-6-13(16)12(7-11)15(17,18)19/h5-7,10,20H,4,8-9H2,1-3H3
InChIKeyCRQHCLLYDMGRKF-UHFFFAOYSA-N
MW304.33 g/mol
LogP3.81
Rot. Bonds2

About 5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylpiperazine

5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylpiperazine (PubChem CID 64935551) has the molecular formula C15H20F4N2 and a molecular weight of 304.33 g/mol. Its IUPAC name is 5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylpiperazine.

Molecular Properties

Compound Name5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylpiperazine
PubChem CID64935551
Molecular FormulaC15H20F4N2
Molecular Weight304.33 g/mol
Exact Mass304.16
IUPAC Name5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylpiperazine
SMILESCCC1(C)CN(c2ccc(F)c(C(F)(F)F)c2)C(C)CN1
InChIInChI=1S/C15H20F4N2/c1-4-14(3)9-21(10(2)8-20-14)11-5-6-13(16)12(7-11)15(17,18)19/h5-7,10,20H,4,8-9H2,1-3H3
InChIKeyCRQHCLLYDMGRKF-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylpiperazine?
The IUPAC name of 5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylpiperazine (CID 64935551) is 5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylpiperazine.
What is the SMILES notation for 5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylpiperazine?
The canonical SMILES for 5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylpiperazine is CCC1(C)CN(c2ccc(F)c(C(F)(F)F)c2)C(C)CN1.
What is the InChIKey of 5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylpiperazine?
The InChIKey is CRQHCLLYDMGRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4N2/c1-4-14(3)9-21(10(2)8-20-14)11-5-6-13(16)12(7-11)15(17,18)19/h5-7,10,20H,4,8-9H2,1-3H3.
What are the key properties of 5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylpiperazine?
5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylpiperazine has a molecular weight of 304.33 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylpiperazine is sourced from PubChem (CID 64935551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).