[1-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]-phenylmethanol

C20H24N4O2 — CID 45170254

IUPAC[1-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]-phenylmethanol
SMILESOC(c1ccccc1)c1cn(CC2CCN(Cc3ccoc3)CC2)nn1
InChIInChI=1S/C20H24N4O2/c25-20(18-4-2-1-3-5-18)19-14-24(22-21-19)13-16-6-9-23(10-7-16)12-17-8-11-26-15-17/h1-5,8,11,14-16,20,25H,6-7,9-10,12-13H2
InChIKeyFCURZRIVSWRNMK-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.87
Rot. Bonds6

About [1-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]-phenylmethanol

[1-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]-phenylmethanol (PubChem CID 45170254) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is [1-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]-phenylmethanol.

Molecular Properties

Compound Name[1-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]-phenylmethanol
PubChem CID45170254
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name[1-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]-phenylmethanol
SMILESOC(c1ccccc1)c1cn(CC2CCN(Cc3ccoc3)CC2)nn1
InChIInChI=1S/C20H24N4O2/c25-20(18-4-2-1-3-5-18)19-14-24(22-21-19)13-16-6-9-23(10-7-16)12-17-8-11-26-15-17/h1-5,8,11,14-16,20,25H,6-7,9-10,12-13H2
InChIKeyFCURZRIVSWRNMK-UHFFFAOYSA-N
XLogP2.87
TPSA67.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]-phenylmethanol?
The IUPAC name of [1-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]-phenylmethanol (CID 45170254) is [1-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]-phenylmethanol.
What is the SMILES notation for [1-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]-phenylmethanol?
The canonical SMILES for [1-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]-phenylmethanol is OC(c1ccccc1)c1cn(CC2CCN(Cc3ccoc3)CC2)nn1.
What is the InChIKey of [1-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]-phenylmethanol?
The InChIKey is FCURZRIVSWRNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-20(18-4-2-1-3-5-18)19-14-24(22-21-19)13-16-6-9-23(10-7-16)12-17-8-11-26-15-17/h1-5,8,11,14-16,20,25H,6-7,9-10,12-13H2.
What are the key properties of [1-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]-phenylmethanol?
[1-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]-phenylmethanol has a molecular weight of 352.44 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(furan-3-ylmethyl)piperidin-4-yl]methyl]triazol-4-yl]-phenylmethanol is sourced from PubChem (CID 45170254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).