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

C20H24N4O2 — CID 45252126

IUPAC[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol
SMILESCc1ccc(CN2CCC(n3cc(C(O)c4ccccc4)nn3)CC2)o1
InChIInChI=1S/C20H24N4O2/c1-15-7-8-18(26-15)13-23-11-9-17(10-12-23)24-14-19(21-22-24)20(25)16-5-3-2-4-6-16/h2-8,14,17,20,25H,9-13H2,1H3
InChIKeyVPYKJWRIHKWPHX-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.10
Rot. Bonds5

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

[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol (PubChem CID 45252126) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is [1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol.

Molecular Properties

Compound Name[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol
PubChem CID45252126
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol
SMILESCc1ccc(CN2CCC(n3cc(C(O)c4ccccc4)nn3)CC2)o1
InChIInChI=1S/C20H24N4O2/c1-15-7-8-18(26-15)13-23-11-9-17(10-12-23)24-14-19(21-22-24)20(25)16-5-3-2-4-6-16/h2-8,14,17,20,25H,9-13H2,1H3
InChIKeyVPYKJWRIHKWPHX-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol?
The IUPAC name of [1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol (CID 45252126) is [1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol.
What is the SMILES notation for [1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol?
The canonical SMILES for [1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol is Cc1ccc(CN2CCC(n3cc(C(O)c4ccccc4)nn3)CC2)o1.
What is the InChIKey of [1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol?
The InChIKey is VPYKJWRIHKWPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-15-7-8-18(26-15)13-23-11-9-17(10-12-23)24-14-19(21-22-24)20(25)16-5-3-2-4-6-16/h2-8,14,17,20,25H,9-13H2,1H3.
What are the key properties of [1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol?
[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol has a molecular weight of 352.44 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol is sourced from PubChem (CID 45252126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).