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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Related Compounds

3-(2,5-dimethoxyphenyl)-1-methylpyrrolidin-3-ol
CID 62976703
4-hydroxy-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]piperidine-4-carboxylic acid
CID 119251257
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 38375787
1-[4-(2-aminoethyl)-4-hydroxypiperidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 136560958
4-(7-methoxy-9,9-dipropylfluoren-2-yl)-1-methylpiperidin-4-ol
CID 10739357
(3R)-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124687327
1-(5-methoxy-1-benzofuran-3-yl)cyclopentane-1-carboxylic acid
CID 82665804
4-(2,4-dimethoxyphenyl)-1-ethylpiperidin-4-ol
CID 62801450
methyl 2-(6-methoxy-1-benzofuran-3-yl)-3-oxobutanoate
CID 23151510
4-(2-methoxy-3,4-dimethylphenyl)-1-methylazepan-4-ol
CID 103432584
[(3R)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 97123907
7-methoxy-1-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 19784338

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).