4-[bis(4-fluorophenyl)methylidene]-1-[2-(2H-triazol-4-yl)ethyl]piperidine

C22H22F2N4 — CID 155213278

IUPAC4-[bis(4-fluorophenyl)methylidene]-1-[2-(2H-triazol-4-yl)ethyl]piperidine
SMILESFc1ccc(C(=C2CCN(CCc3cn[nH]n3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H22F2N4/c23-19-5-1-16(2-6-19)22(17-3-7-20(24)8-4-17)18-9-12-28(13-10-18)14-11-21-15-25-27-26-21/h1-8,15H,9-14H2,(H,25,26,27)
InChIKeyGFZYPERUTHOTFF-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.22
Rot. Bonds5

About 4-[bis(4-fluorophenyl)methylidene]-1-[2-(2H-triazol-4-yl)ethyl]piperidine

4-[bis(4-fluorophenyl)methylidene]-1-[2-(2H-triazol-4-yl)ethyl]piperidine (PubChem CID 155213278) has the molecular formula C22H22F2N4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 4-[bis(4-fluorophenyl)methylidene]-1-[2-(2H-triazol-4-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-[bis(4-fluorophenyl)methylidene]-1-[2-(2H-triazol-4-yl)ethyl]piperidine
PubChem CID155213278
Molecular FormulaC22H22F2N4
Molecular Weight380.44 g/mol
Exact Mass380.18
IUPAC Name4-[bis(4-fluorophenyl)methylidene]-1-[2-(2H-triazol-4-yl)ethyl]piperidine
SMILESFc1ccc(C(=C2CCN(CCc3cn[nH]n3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H22F2N4/c23-19-5-1-16(2-6-19)22(17-3-7-20(24)8-4-17)18-9-12-28(13-10-18)14-11-21-15-25-27-26-21/h1-8,15H,9-14H2,(H,25,26,27)
InChIKeyGFZYPERUTHOTFF-UHFFFAOYSA-N
XLogP4.22
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(4-fluorophenyl)methylidene]-1-[2-(2H-triazol-4-yl)ethyl]piperidine?
The IUPAC name of 4-[bis(4-fluorophenyl)methylidene]-1-[2-(2H-triazol-4-yl)ethyl]piperidine (CID 155213278) is 4-[bis(4-fluorophenyl)methylidene]-1-[2-(2H-triazol-4-yl)ethyl]piperidine.
What is the SMILES notation for 4-[bis(4-fluorophenyl)methylidene]-1-[2-(2H-triazol-4-yl)ethyl]piperidine?
The canonical SMILES for 4-[bis(4-fluorophenyl)methylidene]-1-[2-(2H-triazol-4-yl)ethyl]piperidine is Fc1ccc(C(=C2CCN(CCc3cn[nH]n3)CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[bis(4-fluorophenyl)methylidene]-1-[2-(2H-triazol-4-yl)ethyl]piperidine?
The InChIKey is GFZYPERUTHOTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4/c23-19-5-1-16(2-6-19)22(17-3-7-20(24)8-4-17)18-9-12-28(13-10-18)14-11-21-15-25-27-26-21/h1-8,15H,9-14H2,(H,25,26,27).
What are the key properties of 4-[bis(4-fluorophenyl)methylidene]-1-[2-(2H-triazol-4-yl)ethyl]piperidine?
4-[bis(4-fluorophenyl)methylidene]-1-[2-(2H-triazol-4-yl)ethyl]piperidine has a molecular weight of 380.44 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(4-fluorophenyl)methylidene]-1-[2-(2H-triazol-4-yl)ethyl]piperidine is sourced from PubChem (CID 155213278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).