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

C18H22N4O2 — CID 31074545

IUPAC(1R)-1-[1-[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]triazol-4-yl]ethanol
SMILESC[C@@H](O)c1cn(C2CCN(Cc3cc4ccccc4o3)CC2)nn1
InChIInChI=1S/C18H22N4O2/c1-13(23)17-12-22(20-19-17)15-6-8-21(9-7-15)11-16-10-14-4-2-3-5-18(14)24-16/h2-5,10,12-13,15,23H,6-9,11H2,1H3/t13-/m1/s1
InChIKeyCRLGKFHIFYYPOD-CYBMUJFWSA-N
MW326.40 g/mol
LogP2.91
Rot. Bonds4

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

(1R)-1-[1-[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]triazol-4-yl]ethanol (PubChem CID 31074545) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (1R)-1-[1-[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[1-[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]triazol-4-yl]ethanol
PubChem CID31074545
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(1R)-1-[1-[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]triazol-4-yl]ethanol
SMILESC[C@@H](O)c1cn(C2CCN(Cc3cc4ccccc4o3)CC2)nn1
InChIInChI=1S/C18H22N4O2/c1-13(23)17-12-22(20-19-17)15-6-8-21(9-7-15)11-16-10-14-4-2-3-5-18(14)24-16/h2-5,10,12-13,15,23H,6-9,11H2,1H3/t13-/m1/s1
InChIKeyCRLGKFHIFYYPOD-CYBMUJFWSA-N
XLogP2.91
TPSA67.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]triazol-4-yl]ethanol?
The IUPAC name of (1R)-1-[1-[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]triazol-4-yl]ethanol (CID 31074545) is (1R)-1-[1-[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]triazol-4-yl]ethanol.
What is the SMILES notation for (1R)-1-[1-[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]triazol-4-yl]ethanol?
The canonical SMILES for (1R)-1-[1-[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]triazol-4-yl]ethanol is C[C@@H](O)c1cn(C2CCN(Cc3cc4ccccc4o3)CC2)nn1.
What is the InChIKey of (1R)-1-[1-[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]triazol-4-yl]ethanol?
The InChIKey is CRLGKFHIFYYPOD-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13(23)17-12-22(20-19-17)15-6-8-21(9-7-15)11-16-10-14-4-2-3-5-18(14)24-16/h2-5,10,12-13,15,23H,6-9,11H2,1H3/t13-/m1/s1.
What are the key properties of (1R)-1-[1-[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]triazol-4-yl]ethanol?
(1R)-1-[1-[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]triazol-4-yl]ethanol has a molecular weight of 326.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]triazol-4-yl]ethanol is sourced from PubChem (CID 31074545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).