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

C22H26N2O3 — CID 22614970

IUPAC[3-methyl-4-(1-piperidin-3-yl-2-pyridin-3-ylethoxy)-1-benzofuran-2-yl]methanol
SMILESCc1c(CO)oc2cccc(OC(Cc3cccnc3)C3CCCNC3)c12
InChIInChI=1S/C22H26N2O3/c1-15-21(14-25)27-19-8-2-7-18(22(15)19)26-20(17-6-4-10-24-13-17)11-16-5-3-9-23-12-16/h2-3,5,7-9,12,17,20,24-25H,4,6,10-11,13-14H2,1H3
InChIKeyQNRILLSUXZCNPB-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.62
Rot. Bonds6

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

[3-methyl-4-(1-piperidin-3-yl-2-pyridin-3-ylethoxy)-1-benzofuran-2-yl]methanol (PubChem CID 22614970) 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-2-pyridin-3-ylethoxy)-1-benzofuran-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-4-(1-piperidin-3-yl-2-pyridin-3-ylethoxy)-1-benzofuran-2-yl]methanol
PubChem CID22614970
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name[3-methyl-4-(1-piperidin-3-yl-2-pyridin-3-ylethoxy)-1-benzofuran-2-yl]methanol
SMILESCc1c(CO)oc2cccc(OC(Cc3cccnc3)C3CCCNC3)c12
InChIInChI=1S/C22H26N2O3/c1-15-21(14-25)27-19-8-2-7-18(22(15)19)26-20(17-6-4-10-24-13-17)11-16-5-3-9-23-12-16/h2-3,5,7-9,12,17,20,24-25H,4,6,10-11,13-14H2,1H3
InChIKeyQNRILLSUXZCNPB-UHFFFAOYSA-N
XLogP3.62
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-methyl-4-(1-piperidin-3-yl-1-pyridin-3-ylethoxy)-1-benzofuran-2-yl]methanol
CID 70220319
[4-(3-amino-4-pyridin-3-ylbutoxy)-3-methyl-1-benzofuran-2-yl]methanol
CID 70219903
1-piperidin-3-yl-2-pyridin-3-ylethanamine
CID 82396184
2-ethoxy-3-[(1S)-1-[(3S)-piperidin-3-yl]propoxy]pyridine
CID 68594922
(3S)-N-(pyridin-3-ylmethyl)piperidin-3-amine
CID 53256527
N-piperidin-3-yl-2-pyridin-3-ylacetamide
CID 63321155
3-piperidin-3-yl-1-pyridin-3-ylbutan-1-one
CID 116594349
3-[2,2-di(cyclobutyl)ethyl]pyridine
CID 57256962
[2-(1-pyrrolidin-3-ylpropoxy)phenyl]methanol
CID 22276061
2-(3-methylphenyl)-1-piperidin-3-ylethanol
CID 79019455
3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-phenylmethoxyethyl]pyrrolidine
CID 66860125
3-[(1R)-1-(3-chloro-2-methylphenoxy)-2-ethylsulfanylethyl]pyrrolidine
CID 66859931

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(1-piperidin-3-yl-2-pyridin-3-ylethoxy)-1-benzofuran-2-yl]methanol?
The IUPAC name of [3-methyl-4-(1-piperidin-3-yl-2-pyridin-3-ylethoxy)-1-benzofuran-2-yl]methanol (CID 22614970) is [3-methyl-4-(1-piperidin-3-yl-2-pyridin-3-ylethoxy)-1-benzofuran-2-yl]methanol.
What is the SMILES notation for [3-methyl-4-(1-piperidin-3-yl-2-pyridin-3-ylethoxy)-1-benzofuran-2-yl]methanol?
The canonical SMILES for [3-methyl-4-(1-piperidin-3-yl-2-pyridin-3-ylethoxy)-1-benzofuran-2-yl]methanol is Cc1c(CO)oc2cccc(OC(Cc3cccnc3)C3CCCNC3)c12.
What is the InChIKey of [3-methyl-4-(1-piperidin-3-yl-2-pyridin-3-ylethoxy)-1-benzofuran-2-yl]methanol?
The InChIKey is QNRILLSUXZCNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15-21(14-25)27-19-8-2-7-18(22(15)19)26-20(17-6-4-10-24-13-17)11-16-5-3-9-23-12-16/h2-3,5,7-9,12,17,20,24-25H,4,6,10-11,13-14H2,1H3.
What are the key properties of [3-methyl-4-(1-piperidin-3-yl-2-pyridin-3-ylethoxy)-1-benzofuran-2-yl]methanol?
[3-methyl-4-(1-piperidin-3-yl-2-pyridin-3-ylethoxy)-1-benzofuran-2-yl]methanol has a molecular weight of 366.46 g/mol, XLogP of 3.62, 6 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-2-pyridin-3-ylethoxy)-1-benzofuran-2-yl]methanol is sourced from PubChem (CID 22614970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).