1-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine

C22H24F4N6O — CID 3209368

IUPAC1-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCOCCn1nnnc1C(c1ccccc1F)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H24F4N6O/c1-33-14-13-32-21(27-28-29-32)20(18-7-2-3-8-19(18)23)31-11-9-30(10-12-31)17-6-4-5-16(15-17)22(24,25)26/h2-8,15,20H,9-14H2,1H3
InChIKeyAIFDWXSSAODROD-UHFFFAOYSA-N
MW464.47 g/mol
LogP3.39
Rot. Bonds7

About 1-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine

1-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 3209368) has the molecular formula C22H24F4N6O and a molecular weight of 464.47 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID3209368
Molecular FormulaC22H24F4N6O
Molecular Weight464.47 g/mol
Exact Mass464.19
IUPAC Name1-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCOCCn1nnnc1C(c1ccccc1F)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H24F4N6O/c1-33-14-13-32-21(27-28-29-32)20(18-7-2-3-8-19(18)23)31-11-9-30(10-12-31)17-6-4-5-16(15-17)22(24,25)26/h2-8,15,20H,9-14H2,1H3
InChIKeyAIFDWXSSAODROD-UHFFFAOYSA-N
XLogP3.39
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.47
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine (CID 3209368) is 1-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine is COCCn1nnnc1C(c1ccccc1F)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is AIFDWXSSAODROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F4N6O/c1-33-14-13-32-21(27-28-29-32)20(18-7-2-3-8-19(18)23)31-11-9-30(10-12-31)17-6-4-5-16(15-17)22(24,25)26/h2-8,15,20H,9-14H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
1-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 464.47 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 3209368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).