[3-benzyl-3-(methoxymethyl)-2H-1-benzofuran-6-yl]-piperidin-1-ylmethanol

C23H29NO3 — CID 139316164

IUPAC[3-benzyl-3-(methoxymethyl)-2H-1-benzofuran-6-yl]-piperidin-1-ylmethanol
SMILESCOCC1(Cc2ccccc2)COc2cc(C(O)N3CCCCC3)ccc21
InChIInChI=1S/C23H29NO3/c1-26-16-23(15-18-8-4-2-5-9-18)17-27-21-14-19(10-11-20(21)23)22(25)24-12-6-3-7-13-24/h2,4-5,8-11,14,22,25H,3,6-7,12-13,15-17H2,1H3
InChIKeyXUEIJGBUOGJNOJ-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.68
Rot. Bonds6

About [3-benzyl-3-(methoxymethyl)-2H-1-benzofuran-6-yl]-piperidin-1-ylmethanol

[3-benzyl-3-(methoxymethyl)-2H-1-benzofuran-6-yl]-piperidin-1-ylmethanol (PubChem CID 139316164) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is [3-benzyl-3-(methoxymethyl)-2H-1-benzofuran-6-yl]-piperidin-1-ylmethanol.

Molecular Properties

Compound Name[3-benzyl-3-(methoxymethyl)-2H-1-benzofuran-6-yl]-piperidin-1-ylmethanol
PubChem CID139316164
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name[3-benzyl-3-(methoxymethyl)-2H-1-benzofuran-6-yl]-piperidin-1-ylmethanol
SMILESCOCC1(Cc2ccccc2)COc2cc(C(O)N3CCCCC3)ccc21
InChIInChI=1S/C23H29NO3/c1-26-16-23(15-18-8-4-2-5-9-18)17-27-21-14-19(10-11-20(21)23)22(25)24-12-6-3-7-13-24/h2,4-5,8-11,14,22,25H,3,6-7,12-13,15-17H2,1H3
InChIKeyXUEIJGBUOGJNOJ-UHFFFAOYSA-N
XLogP3.68
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-benzyl-3-(methoxymethyl)-2H-1-benzofuran-6-yl]-piperidin-1-ylmethanol?
The IUPAC name of [3-benzyl-3-(methoxymethyl)-2H-1-benzofuran-6-yl]-piperidin-1-ylmethanol (CID 139316164) is [3-benzyl-3-(methoxymethyl)-2H-1-benzofuran-6-yl]-piperidin-1-ylmethanol.
What is the SMILES notation for [3-benzyl-3-(methoxymethyl)-2H-1-benzofuran-6-yl]-piperidin-1-ylmethanol?
The canonical SMILES for [3-benzyl-3-(methoxymethyl)-2H-1-benzofuran-6-yl]-piperidin-1-ylmethanol is COCC1(Cc2ccccc2)COc2cc(C(O)N3CCCCC3)ccc21.
What is the InChIKey of [3-benzyl-3-(methoxymethyl)-2H-1-benzofuran-6-yl]-piperidin-1-ylmethanol?
The InChIKey is XUEIJGBUOGJNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-26-16-23(15-18-8-4-2-5-9-18)17-27-21-14-19(10-11-20(21)23)22(25)24-12-6-3-7-13-24/h2,4-5,8-11,14,22,25H,3,6-7,12-13,15-17H2,1H3.
What are the key properties of [3-benzyl-3-(methoxymethyl)-2H-1-benzofuran-6-yl]-piperidin-1-ylmethanol?
[3-benzyl-3-(methoxymethyl)-2H-1-benzofuran-6-yl]-piperidin-1-ylmethanol has a molecular weight of 367.49 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-benzyl-3-(methoxymethyl)-2H-1-benzofuran-6-yl]-piperidin-1-ylmethanol is sourced from PubChem (CID 139316164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).