4-[[3-methyl-2-(phenoxymethyl)-1-benzofuran-4-yl]oxy]piperidine

C21H23NO3 — CID 71453510

IUPAC4-[[3-methyl-2-(phenoxymethyl)-1-benzofuran-4-yl]oxy]piperidine
SMILESCc1c(COc2ccccc2)oc2cccc(OC3CCNCC3)c12
InChIInChI=1S/C21H23NO3/c1-15-20(14-23-16-6-3-2-4-7-16)25-19-9-5-8-18(21(15)19)24-17-10-12-22-13-11-17/h2-9,17,22H,10-14H2,1H3
InChIKeyZETIQSRDVYMNKW-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.45
Rot. Bonds5

About 4-[[3-methyl-2-(phenoxymethyl)-1-benzofuran-4-yl]oxy]piperidine

4-[[3-methyl-2-(phenoxymethyl)-1-benzofuran-4-yl]oxy]piperidine (PubChem CID 71453510) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-[[3-methyl-2-(phenoxymethyl)-1-benzofuran-4-yl]oxy]piperidine.

Molecular Properties

Compound Name4-[[3-methyl-2-(phenoxymethyl)-1-benzofuran-4-yl]oxy]piperidine
PubChem CID71453510
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name4-[[3-methyl-2-(phenoxymethyl)-1-benzofuran-4-yl]oxy]piperidine
SMILESCc1c(COc2ccccc2)oc2cccc(OC3CCNCC3)c12
InChIInChI=1S/C21H23NO3/c1-15-20(14-23-16-6-3-2-4-7-16)25-19-9-5-8-18(21(15)19)24-17-10-12-22-13-11-17/h2-9,17,22H,10-14H2,1H3
InChIKeyZETIQSRDVYMNKW-UHFFFAOYSA-N
XLogP4.45
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[3-methyl-2-(phenoxymethyl)-1-benzofuran-4-yl]oxy]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[3-methyl-2-(phenoxymethyl)-1-benzofuran-4-yl]oxy]piperidine?
The IUPAC name of 4-[[3-methyl-2-(phenoxymethyl)-1-benzofuran-4-yl]oxy]piperidine (CID 71453510) is 4-[[3-methyl-2-(phenoxymethyl)-1-benzofuran-4-yl]oxy]piperidine.
What is the SMILES notation for 4-[[3-methyl-2-(phenoxymethyl)-1-benzofuran-4-yl]oxy]piperidine?
The canonical SMILES for 4-[[3-methyl-2-(phenoxymethyl)-1-benzofuran-4-yl]oxy]piperidine is Cc1c(COc2ccccc2)oc2cccc(OC3CCNCC3)c12.
What is the InChIKey of 4-[[3-methyl-2-(phenoxymethyl)-1-benzofuran-4-yl]oxy]piperidine?
The InChIKey is ZETIQSRDVYMNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-15-20(14-23-16-6-3-2-4-7-16)25-19-9-5-8-18(21(15)19)24-17-10-12-22-13-11-17/h2-9,17,22H,10-14H2,1H3.
What are the key properties of 4-[[3-methyl-2-(phenoxymethyl)-1-benzofuran-4-yl]oxy]piperidine?
4-[[3-methyl-2-(phenoxymethyl)-1-benzofuran-4-yl]oxy]piperidine has a molecular weight of 337.42 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-methyl-2-(phenoxymethyl)-1-benzofuran-4-yl]oxy]piperidine is sourced from PubChem (CID 71453510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).