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

C18H23FN4O — CID 53192324

IUPAC4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(oxan-4-yl)piperidine
SMILESFc1ccc(-c2n[nH]c(C3CCN(C4CCOCC4)CC3)n2)cc1
InChIInChI=1S/C18H23FN4O/c19-15-3-1-13(2-4-15)17-20-18(22-21-17)14-5-9-23(10-6-14)16-7-11-24-12-8-16/h1-4,14,16H,5-12H2,(H,20,21,22)
InChIKeyMICFKMSHZTXVKW-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.97
Rot. Bonds3

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

4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(oxan-4-yl)piperidine (PubChem CID 53192324) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(oxan-4-yl)piperidine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(oxan-4-yl)piperidine
PubChem CID53192324
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(oxan-4-yl)piperidine
SMILESFc1ccc(-c2n[nH]c(C3CCN(C4CCOCC4)CC3)n2)cc1
InChIInChI=1S/C18H23FN4O/c19-15-3-1-13(2-4-15)17-20-18(22-21-17)14-5-9-23(10-6-14)16-7-11-24-12-8-16/h1-4,14,16H,5-12H2,(H,20,21,22)
InChIKeyMICFKMSHZTXVKW-UHFFFAOYSA-N
XLogP2.97
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.97
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-(oxan-4-yl)piperidine?
The IUPAC name of 4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(oxan-4-yl)piperidine (CID 53192324) is 4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(oxan-4-yl)piperidine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(oxan-4-yl)piperidine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(oxan-4-yl)piperidine is Fc1ccc(-c2n[nH]c(C3CCN(C4CCOCC4)CC3)n2)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(oxan-4-yl)piperidine?
The InChIKey is MICFKMSHZTXVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c19-15-3-1-13(2-4-15)17-20-18(22-21-17)14-5-9-23(10-6-14)16-7-11-24-12-8-16/h1-4,14,16H,5-12H2,(H,20,21,22).
What are the key properties of 4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(oxan-4-yl)piperidine?
4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(oxan-4-yl)piperidine has a molecular weight of 330.41 g/mol, XLogP of 2.97, 3 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-(oxan-4-yl)piperidine is sourced from PubChem (CID 53192324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).