[3-methyl-4-(1-piperidin-3-yl-1-pyridin-3-ylethoxy)-1-benzofuran-2-yl]methanol

C22H26N2O3 — CID 70220319

IUPAC[3-methyl-4-(1-piperidin-3-yl-1-pyridin-3-ylethoxy)-1-benzofuran-2-yl]methanol
SMILESCc1c(CO)oc2cccc(OC(C)(c3cccnc3)C3CCCNC3)c12
InChIInChI=1S/C22H26N2O3/c1-15-20(14-25)26-18-8-3-9-19(21(15)18)27-22(2,16-6-4-10-23-12-16)17-7-5-11-24-13-17/h3-4,6,8-10,12,17,24-25H,5,7,11,13-14H2,1-2H3
InChIKeyHTIMWQNGBCFGMC-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.92
Rot. Bonds5

About [3-methyl-4-(1-piperidin-3-yl-1-pyridin-3-ylethoxy)-1-benzofuran-2-yl]methanol

[3-methyl-4-(1-piperidin-3-yl-1-pyridin-3-ylethoxy)-1-benzofuran-2-yl]methanol (PubChem CID 70220319) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is [3-methyl-4-(1-piperidin-3-yl-1-pyridin-3-ylethoxy)-1-benzofuran-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-4-(1-piperidin-3-yl-1-pyridin-3-ylethoxy)-1-benzofuran-2-yl]methanol
PubChem CID70220319
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name[3-methyl-4-(1-piperidin-3-yl-1-pyridin-3-ylethoxy)-1-benzofuran-2-yl]methanol
SMILESCc1c(CO)oc2cccc(OC(C)(c3cccnc3)C3CCCNC3)c12
InChIInChI=1S/C22H26N2O3/c1-15-20(14-25)26-18-8-3-9-19(21(15)18)27-22(2,16-6-4-10-23-12-16)17-7-5-11-24-13-17/h3-4,6,8-10,12,17,24-25H,5,7,11,13-14H2,1-2H3
InChIKeyHTIMWQNGBCFGMC-UHFFFAOYSA-N
XLogP3.92
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-methyl-4-(1-piperidin-3-yl-2-pyridin-3-ylethoxy)-1-benzofuran-2-yl]methanol
CID 22614970
1-piperidin-3-yl-1-pyridin-3-ylethanol
CID 63585901
[4-(3-amino-4-pyridin-3-ylbutoxy)-3-methyl-1-benzofuran-2-yl]methanol
CID 70219903
1-(4-tert-butylphenyl)-1-piperidin-3-ylethanol
CID 63586623
tert-butyl N-methyl-N-[(3-methyl-4-pyridin-3-yloxy-1-benzofuran-2-yl)methyl]carbamate
CID 156500216
2-methyl-2-pyridin-3-yl-N-(pyrrolidin-3-ylmethyl)propan-1-amine
CID 115209149
2-methyl-N-(piperidin-4-ylmethyl)-2-pyridin-3-ylpropan-1-amine
CID 115210078
1-(4-cyclobutylphenyl)-1-piperidin-3-ylethanol
CID 116505257
3-(2-cyclohexylpropan-2-yl)pyridine
CID 91076672
3-[2-(3-prop-2-enoxyphenyl)propan-2-yl]piperidine
CID 70348366
3-[(1R)-1-phenoxy-1-phenylethyl]pyrrolidine
CID 147466437
N-methyl-N-piperidin-3-ylpyridin-3-amine
CID 83698004

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(1-piperidin-3-yl-1-pyridin-3-ylethoxy)-1-benzofuran-2-yl]methanol?
The IUPAC name of [3-methyl-4-(1-piperidin-3-yl-1-pyridin-3-ylethoxy)-1-benzofuran-2-yl]methanol (CID 70220319) is [3-methyl-4-(1-piperidin-3-yl-1-pyridin-3-ylethoxy)-1-benzofuran-2-yl]methanol.
What is the SMILES notation for [3-methyl-4-(1-piperidin-3-yl-1-pyridin-3-ylethoxy)-1-benzofuran-2-yl]methanol?
The canonical SMILES for [3-methyl-4-(1-piperidin-3-yl-1-pyridin-3-ylethoxy)-1-benzofuran-2-yl]methanol is Cc1c(CO)oc2cccc(OC(C)(c3cccnc3)C3CCCNC3)c12.
What is the InChIKey of [3-methyl-4-(1-piperidin-3-yl-1-pyridin-3-ylethoxy)-1-benzofuran-2-yl]methanol?
The InChIKey is HTIMWQNGBCFGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15-20(14-25)26-18-8-3-9-19(21(15)18)27-22(2,16-6-4-10-23-12-16)17-7-5-11-24-13-17/h3-4,6,8-10,12,17,24-25H,5,7,11,13-14H2,1-2H3.
What are the key properties of [3-methyl-4-(1-piperidin-3-yl-1-pyridin-3-ylethoxy)-1-benzofuran-2-yl]methanol?
[3-methyl-4-(1-piperidin-3-yl-1-pyridin-3-ylethoxy)-1-benzofuran-2-yl]methanol has a molecular weight of 366.46 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(1-piperidin-3-yl-1-pyridin-3-ylethoxy)-1-benzofuran-2-yl]methanol is sourced from PubChem (CID 70220319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).