4-(6-methoxy-1-benzofuran-3-yl)-1-methylpiperidin-4-ol

C15H19NO3 — CID 163596191

IUPAC4-(6-methoxy-1-benzofuran-3-yl)-1-methylpiperidin-4-ol
SMILESCOc1ccc2c(C3(O)CCN(C)CC3)coc2c1
InChIInChI=1S/C15H19NO3/c1-16-7-5-15(17,6-8-16)13-10-19-14-9-11(18-2)3-4-12(13)14/h3-4,9-10,17H,5-8H2,1-2H3
InChIKeyGTQAXIVZGUIBPD-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.35
Rot. Bonds2

About 4-(6-methoxy-1-benzofuran-3-yl)-1-methylpiperidin-4-ol

4-(6-methoxy-1-benzofuran-3-yl)-1-methylpiperidin-4-ol (PubChem CID 163596191) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-(6-methoxy-1-benzofuran-3-yl)-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-(6-methoxy-1-benzofuran-3-yl)-1-methylpiperidin-4-ol
PubChem CID163596191
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name4-(6-methoxy-1-benzofuran-3-yl)-1-methylpiperidin-4-ol
SMILESCOc1ccc2c(C3(O)CCN(C)CC3)coc2c1
InChIInChI=1S/C15H19NO3/c1-16-7-5-15(17,6-8-16)13-10-19-14-9-11(18-2)3-4-12(13)14/h3-4,9-10,17H,5-8H2,1-2H3
InChIKeyGTQAXIVZGUIBPD-UHFFFAOYSA-N
XLogP2.35
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-1-benzofuran-3-yl)-1-methylpiperidin-4-ol?
The IUPAC name of 4-(6-methoxy-1-benzofuran-3-yl)-1-methylpiperidin-4-ol (CID 163596191) is 4-(6-methoxy-1-benzofuran-3-yl)-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-(6-methoxy-1-benzofuran-3-yl)-1-methylpiperidin-4-ol?
The canonical SMILES for 4-(6-methoxy-1-benzofuran-3-yl)-1-methylpiperidin-4-ol is COc1ccc2c(C3(O)CCN(C)CC3)coc2c1.
What is the InChIKey of 4-(6-methoxy-1-benzofuran-3-yl)-1-methylpiperidin-4-ol?
The InChIKey is GTQAXIVZGUIBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-16-7-5-15(17,6-8-16)13-10-19-14-9-11(18-2)3-4-12(13)14/h3-4,9-10,17H,5-8H2,1-2H3.
What are the key properties of 4-(6-methoxy-1-benzofuran-3-yl)-1-methylpiperidin-4-ol?
4-(6-methoxy-1-benzofuran-3-yl)-1-methylpiperidin-4-ol has a molecular weight of 261.32 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-1-benzofuran-3-yl)-1-methylpiperidin-4-ol is sourced from PubChem (CID 163596191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).