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

C18H23FN4O — CID 53192103

IUPAC3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(oxan-4-yl)piperidine
SMILESFc1ccc(-c2n[nH]c(C3CCCN(C4CCOCC4)C3)n2)cc1
InChIInChI=1S/C18H23FN4O/c19-15-5-3-13(4-6-15)17-20-18(22-21-17)14-2-1-9-23(12-14)16-7-10-24-11-8-16/h3-6,14,16H,1-2,7-12H2,(H,20,21,22)
InChIKeyVLBJXYOFMWEWRD-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.97
Rot. Bonds3

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

3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(oxan-4-yl)piperidine (PubChem CID 53192103) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(oxan-4-yl)piperidine.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(oxan-4-yl)piperidine
PubChem CID53192103
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(oxan-4-yl)piperidine
SMILESFc1ccc(-c2n[nH]c(C3CCCN(C4CCOCC4)C3)n2)cc1
InChIInChI=1S/C18H23FN4O/c19-15-5-3-13(4-6-15)17-20-18(22-21-17)14-2-1-9-23(12-14)16-7-10-24-11-8-16/h3-6,14,16H,1-2,7-12H2,(H,20,21,22)
InChIKeyVLBJXYOFMWEWRD-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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Related Compounds

N-(4-fluorophenyl)-2-methyl-6-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridin-4-amine
CID 124998034
2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridine
CID 95841777
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 68924485
2-[(3R)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine
CID 124615473
3-[2-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine;formic acid
CID 171317322
4-[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine
CID 16669618
5-cyclohexyl-3-(3,5-difluorophenyl)-1H-1,2,4-triazole
CID 61336958
[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 53192468
1-cyclopentyl-3-[4-(4-fluorophenyl)-2-methylphenyl]piperidine
CID 155405582
5-[[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 53192329
2-phenyl-1-[(3S)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 95111045
2-[1-(oxan-4-yl)piperidin-3-yl]-1,3-thiazole
CID 110269356

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(oxan-4-yl)piperidine?
The IUPAC name of 3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(oxan-4-yl)piperidine (CID 53192103) is 3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(oxan-4-yl)piperidine.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(oxan-4-yl)piperidine?
The canonical SMILES for 3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(oxan-4-yl)piperidine is Fc1ccc(-c2n[nH]c(C3CCCN(C4CCOCC4)C3)n2)cc1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(oxan-4-yl)piperidine?
The InChIKey is VLBJXYOFMWEWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c19-15-5-3-13(4-6-15)17-20-18(22-21-17)14-2-1-9-23(12-14)16-7-10-24-11-8-16/h3-6,14,16H,1-2,7-12H2,(H,20,21,22).
What are the key properties of 3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(oxan-4-yl)piperidine?
3-[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 3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(oxan-4-yl)piperidine is sourced from PubChem (CID 53192103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).