1-(1-benzofuran-2-yl)-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]ethanol

C18H22N4O2 — CID 136562540

IUPAC1-(1-benzofuran-2-yl)-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]ethanol
SMILESOC(CN1CCC(Cn2ccnn2)CC1)c1cc2ccccc2o1
InChIInChI=1S/C18H22N4O2/c23-16(18-11-15-3-1-2-4-17(15)24-18)13-21-8-5-14(6-9-21)12-22-10-7-19-20-22/h1-4,7,10-11,14,16,23H,5-6,8-9,12-13H2
InChIKeyYDUCUDVJMNOBFP-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.47
Rot. Bonds5

About 1-(1-benzofuran-2-yl)-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]ethanol

1-(1-benzofuran-2-yl)-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]ethanol (PubChem CID 136562540) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]ethanol
PubChem CID136562540
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-(1-benzofuran-2-yl)-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]ethanol
SMILESOC(CN1CCC(Cn2ccnn2)CC1)c1cc2ccccc2o1
InChIInChI=1S/C18H22N4O2/c23-16(18-11-15-3-1-2-4-17(15)24-18)13-21-8-5-14(6-9-21)12-22-10-7-19-20-22/h1-4,7,10-11,14,16,23H,5-6,8-9,12-13H2
InChIKeyYDUCUDVJMNOBFP-UHFFFAOYSA-N
XLogP2.47
TPSA67.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]ethanol?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]ethanol (CID 136562540) is 1-(1-benzofuran-2-yl)-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]ethanol.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]ethanol?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]ethanol is OC(CN1CCC(Cn2ccnn2)CC1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]ethanol?
The InChIKey is YDUCUDVJMNOBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-16(18-11-15-3-1-2-4-17(15)24-18)13-21-8-5-14(6-9-21)12-22-10-7-19-20-22/h1-4,7,10-11,14,16,23H,5-6,8-9,12-13H2.
What are the key properties of 1-(1-benzofuran-2-yl)-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]ethanol?
1-(1-benzofuran-2-yl)-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]ethanol has a molecular weight of 326.40 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]ethanol is sourced from PubChem (CID 136562540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).