1-[1-[4-(3-methoxyoxetan-3-yl)phenyl]ethenyl]-4-[4-(trifluoromethyl)phenyl]piperazine

C23H25F3N2O2 — CID 156800921

IUPAC1-[1-[4-(3-methoxyoxetan-3-yl)phenyl]ethenyl]-4-[4-(trifluoromethyl)phenyl]piperazine
SMILESC=C(c1ccc(C2(OC)COC2)cc1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C23H25F3N2O2/c1-17(18-3-5-19(6-4-18)22(29-2)15-30-16-22)27-11-13-28(14-12-27)21-9-7-20(8-10-21)23(24,25)26/h3-10H,1,11-16H2,2H3
InChIKeyDKPAPGSLTAXESS-UHFFFAOYSA-N
MW418.46 g/mol
LogP4.37
Rot. Bonds5

About 1-[1-[4-(3-methoxyoxetan-3-yl)phenyl]ethenyl]-4-[4-(trifluoromethyl)phenyl]piperazine

1-[1-[4-(3-methoxyoxetan-3-yl)phenyl]ethenyl]-4-[4-(trifluoromethyl)phenyl]piperazine (PubChem CID 156800921) has the molecular formula C23H25F3N2O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 1-[1-[4-(3-methoxyoxetan-3-yl)phenyl]ethenyl]-4-[4-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[1-[4-(3-methoxyoxetan-3-yl)phenyl]ethenyl]-4-[4-(trifluoromethyl)phenyl]piperazine
PubChem CID156800921
Molecular FormulaC23H25F3N2O2
Molecular Weight418.46 g/mol
Exact Mass418.19
IUPAC Name1-[1-[4-(3-methoxyoxetan-3-yl)phenyl]ethenyl]-4-[4-(trifluoromethyl)phenyl]piperazine
SMILESC=C(c1ccc(C2(OC)COC2)cc1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C23H25F3N2O2/c1-17(18-3-5-19(6-4-18)22(29-2)15-30-16-22)27-11-13-28(14-12-27)21-9-7-20(8-10-21)23(24,25)26/h3-10H,1,11-16H2,2H3
InChIKeyDKPAPGSLTAXESS-UHFFFAOYSA-N
XLogP4.37
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-[4-(3-methoxyoxetan-3-yl)phenyl]ethenyl]-4-[4-(trifluoromethyl)phenyl]piperazine with MolForge

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Related Compounds

[4-(3-methoxyoxetan-3-yl)phenyl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 156536891
4-[4-(difluoromethyl)phenyl]-1-[1-[4-(3-methoxyoxetan-3-yl)phenyl]ethenyl]piperidine
CID 156560675
1-[1-[4-[3-(2-ethylsulfanylethoxy)oxetan-3-yl]phenyl]ethenyl]-4-[4-(trifluoromethyl)phenyl]piperidine
CID 156800894
[4-(3-methoxyoxetan-3-yl)phenyl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 164533591
[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 113078761
(2R)-2-amino-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 97341723
[4-(4-hydroxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 8779377
[4-(4-ethylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 113075921
[3-(3-methoxyoxetan-3-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone
CID 164533554
(4-morpholin-4-ylphenyl)-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene
CID 88874788
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 7274685
2-[methylsulfanyl-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methylidene]propanedinitrile
CID 156805531

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(3-methoxyoxetan-3-yl)phenyl]ethenyl]-4-[4-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[1-[4-(3-methoxyoxetan-3-yl)phenyl]ethenyl]-4-[4-(trifluoromethyl)phenyl]piperazine (CID 156800921) is 1-[1-[4-(3-methoxyoxetan-3-yl)phenyl]ethenyl]-4-[4-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[1-[4-(3-methoxyoxetan-3-yl)phenyl]ethenyl]-4-[4-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[1-[4-(3-methoxyoxetan-3-yl)phenyl]ethenyl]-4-[4-(trifluoromethyl)phenyl]piperazine is C=C(c1ccc(C2(OC)COC2)cc1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[1-[4-(3-methoxyoxetan-3-yl)phenyl]ethenyl]-4-[4-(trifluoromethyl)phenyl]piperazine?
The InChIKey is DKPAPGSLTAXESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O2/c1-17(18-3-5-19(6-4-18)22(29-2)15-30-16-22)27-11-13-28(14-12-27)21-9-7-20(8-10-21)23(24,25)26/h3-10H,1,11-16H2,2H3.
What are the key properties of 1-[1-[4-(3-methoxyoxetan-3-yl)phenyl]ethenyl]-4-[4-(trifluoromethyl)phenyl]piperazine?
1-[1-[4-(3-methoxyoxetan-3-yl)phenyl]ethenyl]-4-[4-(trifluoromethyl)phenyl]piperazine has a molecular weight of 418.46 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(3-methoxyoxetan-3-yl)phenyl]ethenyl]-4-[4-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 156800921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).