1-[2-(4-fluorophenoxy)ethyl]-4-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine

C21H24F4N2O2 — CID 67298811

IUPAC1-[2-(4-fluorophenoxy)ethyl]-4-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine
SMILESFc1ccc(OCCN2CCN(CCc3ccc(OC(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C21H24F4N2O2/c22-18-3-7-19(8-4-18)28-16-15-27-13-11-26(12-14-27)10-9-17-1-5-20(6-2-17)29-21(23,24)25/h1-8H,9-16H2
InChIKeyUIGUKQAPXMVTLY-UHFFFAOYSA-N
MW412.43 g/mol
LogP3.96
Rot. Bonds8

About 1-[2-(4-fluorophenoxy)ethyl]-4-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine

1-[2-(4-fluorophenoxy)ethyl]-4-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine (PubChem CID 67298811) has the molecular formula C21H24F4N2O2 and a molecular weight of 412.43 g/mol. Its IUPAC name is 1-[2-(4-fluorophenoxy)ethyl]-4-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(4-fluorophenoxy)ethyl]-4-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine
PubChem CID67298811
Molecular FormulaC21H24F4N2O2
Molecular Weight412.43 g/mol
Exact Mass412.18
IUPAC Name1-[2-(4-fluorophenoxy)ethyl]-4-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine
SMILESFc1ccc(OCCN2CCN(CCc3ccc(OC(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C21H24F4N2O2/c22-18-3-7-19(8-4-18)28-16-15-27-13-11-26(12-14-27)10-9-17-1-5-20(6-2-17)29-21(23,24)25/h1-8H,9-16H2
InChIKeyUIGUKQAPXMVTLY-UHFFFAOYSA-N
XLogP3.96
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-fluorophenyl)methoxy]-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]piperidine
CID 10137339
1-[2-(4-fluorophenoxy)ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 67298873
1-ethyl-4-[2-(4-fluorophenoxy)ethyl]piperazine
CID 1301156
1-[[4-[3-[4-(trifluoromethoxy)phenyl]propoxy]phenyl]methyl]piperazine
CID 141351579
1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 59354971
1-[4-[2-(2,4-difluorophenoxy)ethyl]piperazin-1-yl]-4-[4-(trifluoromethoxy)phenyl]butan-1-one;1-[4-[2-(2,4-difluorophenoxy)ethyl]piperazin-1-yl]-3-[4-(trifluoromethoxy)phenyl]propan-1-one
CID 157217755
3-(4-ethoxyphenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]propan-1-one
CID 67299157
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine
CID 54591726
7-[2-[4-(trifluoromethoxy)phenoxy]ethyl]-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
CID 168907516
1-[1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidin-4-yl]ethanol
CID 111510943
3,3-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine
CID 174568705
[4-[2-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]ethoxy]phenyl]methanol
CID 145415565

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]-4-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine?
The IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]-4-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine (CID 67298811) is 1-[2-(4-fluorophenoxy)ethyl]-4-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine.
What is the SMILES notation for 1-[2-(4-fluorophenoxy)ethyl]-4-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine?
The canonical SMILES for 1-[2-(4-fluorophenoxy)ethyl]-4-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine is Fc1ccc(OCCN2CCN(CCc3ccc(OC(F)(F)F)cc3)CC2)cc1.
What is the InChIKey of 1-[2-(4-fluorophenoxy)ethyl]-4-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine?
The InChIKey is UIGUKQAPXMVTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F4N2O2/c22-18-3-7-19(8-4-18)28-16-15-27-13-11-26(12-14-27)10-9-17-1-5-20(6-2-17)29-21(23,24)25/h1-8H,9-16H2.
What are the key properties of 1-[2-(4-fluorophenoxy)ethyl]-4-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine?
1-[2-(4-fluorophenoxy)ethyl]-4-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine has a molecular weight of 412.43 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenoxy)ethyl]-4-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine is sourced from PubChem (CID 67298811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).