[5-[[4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-1-yl]methyl]furan-2-yl]methanol

C19H21FN4O2 — CID 31125329

IUPAC[5-[[4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-1-yl]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CN2CCC(n3cc(-c4ccc(F)cc4)nn3)CC2)o1
InChIInChI=1S/C19H21FN4O2/c20-15-3-1-14(2-4-15)19-12-24(22-21-19)16-7-9-23(10-8-16)11-17-5-6-18(13-25)26-17/h1-6,12,16,25H,7-11,13H2
InChIKeyYMBLDLUDRROOTJ-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.01
Rot. Bonds5

About [5-[[4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-1-yl]methyl]furan-2-yl]methanol

[5-[[4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-1-yl]methyl]furan-2-yl]methanol (PubChem CID 31125329) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is [5-[[4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-1-yl]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-1-yl]methyl]furan-2-yl]methanol
PubChem CID31125329
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name[5-[[4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-1-yl]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CN2CCC(n3cc(-c4ccc(F)cc4)nn3)CC2)o1
InChIInChI=1S/C19H21FN4O2/c20-15-3-1-14(2-4-15)19-12-24(22-21-19)16-7-9-23(10-8-16)11-17-5-6-18(13-25)26-17/h1-6,12,16,25H,7-11,13H2
InChIKeyYMBLDLUDRROOTJ-UHFFFAOYSA-N
XLogP3.01
TPSA67.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[[4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-1-yl]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-1-yl]methyl]furan-2-yl]methanol (CID 31125329) is [5-[[4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-1-yl]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-1-yl]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-1-yl]methyl]furan-2-yl]methanol is OCc1ccc(CN2CCC(n3cc(-c4ccc(F)cc4)nn3)CC2)o1.
What is the InChIKey of [5-[[4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-1-yl]methyl]furan-2-yl]methanol?
The InChIKey is YMBLDLUDRROOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c20-15-3-1-14(2-4-15)19-12-24(22-21-19)16-7-9-23(10-8-16)11-17-5-6-18(13-25)26-17/h1-6,12,16,25H,7-11,13H2.
What are the key properties of [5-[[4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-1-yl]methyl]furan-2-yl]methanol?
[5-[[4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-1-yl]methyl]furan-2-yl]methanol has a molecular weight of 356.40 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-1-yl]methyl]furan-2-yl]methanol is sourced from PubChem (CID 31125329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).