[1-[1-[[4-(5-methylfuran-2-yl)phenyl]methyl]piperidin-4-yl]triazol-4-yl]methanol

C20H24N4O2 — CID 31073821

IUPAC[1-[1-[[4-(5-methylfuran-2-yl)phenyl]methyl]piperidin-4-yl]triazol-4-yl]methanol
SMILESCc1ccc(-c2ccc(CN3CCC(n4cc(CO)nn4)CC3)cc2)o1
InChIInChI=1S/C20H24N4O2/c1-15-2-7-20(26-15)17-5-3-16(4-6-17)12-23-10-8-19(9-11-23)24-13-18(14-25)21-22-24/h2-7,13,19,25H,8-12,14H2,1H3
InChIKeyAXCJMYOIFDJXGN-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.18
Rot. Bonds5

About [1-[1-[[4-(5-methylfuran-2-yl)phenyl]methyl]piperidin-4-yl]triazol-4-yl]methanol

[1-[1-[[4-(5-methylfuran-2-yl)phenyl]methyl]piperidin-4-yl]triazol-4-yl]methanol (PubChem CID 31073821) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is [1-[1-[[4-(5-methylfuran-2-yl)phenyl]methyl]piperidin-4-yl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[1-[[4-(5-methylfuran-2-yl)phenyl]methyl]piperidin-4-yl]triazol-4-yl]methanol
PubChem CID31073821
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name[1-[1-[[4-(5-methylfuran-2-yl)phenyl]methyl]piperidin-4-yl]triazol-4-yl]methanol
SMILESCc1ccc(-c2ccc(CN3CCC(n4cc(CO)nn4)CC3)cc2)o1
InChIInChI=1S/C20H24N4O2/c1-15-2-7-20(26-15)17-5-3-16(4-6-17)12-23-10-8-19(9-11-23)24-13-18(14-25)21-22-24/h2-7,13,19,25H,8-12,14H2,1H3
InChIKeyAXCJMYOIFDJXGN-UHFFFAOYSA-N
XLogP3.18
TPSA67.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[1-[[4-(5-methylfuran-2-yl)phenyl]methyl]piperidin-4-yl]triazol-4-yl]methanol?
The IUPAC name of [1-[1-[[4-(5-methylfuran-2-yl)phenyl]methyl]piperidin-4-yl]triazol-4-yl]methanol (CID 31073821) is [1-[1-[[4-(5-methylfuran-2-yl)phenyl]methyl]piperidin-4-yl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[1-[[4-(5-methylfuran-2-yl)phenyl]methyl]piperidin-4-yl]triazol-4-yl]methanol?
The canonical SMILES for [1-[1-[[4-(5-methylfuran-2-yl)phenyl]methyl]piperidin-4-yl]triazol-4-yl]methanol is Cc1ccc(-c2ccc(CN3CCC(n4cc(CO)nn4)CC3)cc2)o1.
What is the InChIKey of [1-[1-[[4-(5-methylfuran-2-yl)phenyl]methyl]piperidin-4-yl]triazol-4-yl]methanol?
The InChIKey is AXCJMYOIFDJXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-15-2-7-20(26-15)17-5-3-16(4-6-17)12-23-10-8-19(9-11-23)24-13-18(14-25)21-22-24/h2-7,13,19,25H,8-12,14H2,1H3.
What are the key properties of [1-[1-[[4-(5-methylfuran-2-yl)phenyl]methyl]piperidin-4-yl]triazol-4-yl]methanol?
[1-[1-[[4-(5-methylfuran-2-yl)phenyl]methyl]piperidin-4-yl]triazol-4-yl]methanol has a molecular weight of 352.44 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[[4-(5-methylfuran-2-yl)phenyl]methyl]piperidin-4-yl]triazol-4-yl]methanol is sourced from PubChem (CID 31073821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).