4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(furan-2-ylmethyl)piperidine

C18H19FN4O — CID 53192333

IUPAC4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(furan-2-ylmethyl)piperidine
SMILESFc1ccc(-c2n[nH]c(C3CCN(Cc4ccco4)CC3)n2)cc1
InChIInChI=1S/C18H19FN4O/c19-15-5-3-13(4-6-15)17-20-18(22-21-17)14-7-9-23(10-8-14)12-16-2-1-11-24-16/h1-6,11,14H,7-10,12H2,(H,20,21,22)
InChIKeyZAOPQCDIGJKDBT-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.58
Rot. Bonds4

About 4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(furan-2-ylmethyl)piperidine

4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(furan-2-ylmethyl)piperidine (PubChem CID 53192333) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(furan-2-ylmethyl)piperidine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(furan-2-ylmethyl)piperidine
PubChem CID53192333
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(furan-2-ylmethyl)piperidine
SMILESFc1ccc(-c2n[nH]c(C3CCN(Cc4ccco4)CC3)n2)cc1
InChIInChI=1S/C18H19FN4O/c19-15-5-3-13(4-6-15)17-20-18(22-21-17)14-7-9-23(10-8-14)12-16-2-1-11-24-16/h1-6,11,14H,7-10,12H2,(H,20,21,22)
InChIKeyZAOPQCDIGJKDBT-UHFFFAOYSA-N
XLogP3.58
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(furan-2-ylmethyl)piperidine?
The IUPAC name of 4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(furan-2-ylmethyl)piperidine (CID 53192333) is 4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(furan-2-ylmethyl)piperidine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(furan-2-ylmethyl)piperidine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(furan-2-ylmethyl)piperidine is Fc1ccc(-c2n[nH]c(C3CCN(Cc4ccco4)CC3)n2)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(furan-2-ylmethyl)piperidine?
The InChIKey is ZAOPQCDIGJKDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c19-15-5-3-13(4-6-15)17-20-18(22-21-17)14-7-9-23(10-8-14)12-16-2-1-11-24-16/h1-6,11,14H,7-10,12H2,(H,20,21,22).
What are the key properties of 4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(furan-2-ylmethyl)piperidine?
4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(furan-2-ylmethyl)piperidine has a molecular weight of 326.38 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(furan-2-ylmethyl)piperidine is sourced from PubChem (CID 53192333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).