[2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1-benzofuran-3-yl]methanamine

C17H24N2O2 — CID 106589409

IUPAC[2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1-benzofuran-3-yl]methanamine
SMILESCOCC1CCCN(Cc2oc3ccccc3c2CN)C1
InChIInChI=1S/C17H24N2O2/c1-20-12-13-5-4-8-19(10-13)11-17-15(9-18)14-6-2-3-7-16(14)21-17/h2-3,6-7,13H,4-5,8-12,18H2,1H3
InChIKeySOJFJRFAYQCRKZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.75
Rot. Bonds5

About [2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1-benzofuran-3-yl]methanamine

[2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1-benzofuran-3-yl]methanamine (PubChem CID 106589409) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is [2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1-benzofuran-3-yl]methanamine.

Molecular Properties

Compound Name[2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1-benzofuran-3-yl]methanamine
PubChem CID106589409
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name[2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1-benzofuran-3-yl]methanamine
SMILESCOCC1CCCN(Cc2oc3ccccc3c2CN)C1
InChIInChI=1S/C17H24N2O2/c1-20-12-13-5-4-8-19(10-13)11-17-15(9-18)14-6-2-3-7-16(14)21-17/h2-3,6-7,13H,4-5,8-12,18H2,1H3
InChIKeySOJFJRFAYQCRKZ-UHFFFAOYSA-N
XLogP2.75
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1-benzofuran-3-yl]methanamine with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-[(3-ethylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
CID 62433787
[2-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-benzofuran-3-yl]methanamine
CID 62417858
1-[1-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62888364
[1-[(2-ethyl-1-benzofuran-3-yl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride
CID 154904546
2-[(3-methoxypiperidin-1-yl)methyl]-1-benzofuran-3-carboxylic acid
CID 102959581
[2-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1-benzofuran-3-yl]methanamine
CID 62434570
[2-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]phenyl]methanamine
CID 106587342
[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]methanamine
CID 63217954
3-[2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenyl]prop-2-yn-1-amine
CID 106588436
1-[(2-ethyl-1-benzofuran-3-yl)methyl]piperidine-3-carboxylic acid
CID 122040712
1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 106587755
N-methyl-1-[2-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]methanamine
CID 62424895

Frequently Asked Questions

What is the IUPAC name of [2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1-benzofuran-3-yl]methanamine?
The IUPAC name of [2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1-benzofuran-3-yl]methanamine (CID 106589409) is [2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1-benzofuran-3-yl]methanamine.
What is the SMILES notation for [2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1-benzofuran-3-yl]methanamine?
The canonical SMILES for [2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1-benzofuran-3-yl]methanamine is COCC1CCCN(Cc2oc3ccccc3c2CN)C1.
What is the InChIKey of [2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1-benzofuran-3-yl]methanamine?
The InChIKey is SOJFJRFAYQCRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-20-12-13-5-4-8-19(10-13)11-17-15(9-18)14-6-2-3-7-16(14)21-17/h2-3,6-7,13H,4-5,8-12,18H2,1H3.
What are the key properties of [2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1-benzofuran-3-yl]methanamine?
[2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1-benzofuran-3-yl]methanamine has a molecular weight of 288.39 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1-benzofuran-3-yl]methanamine is sourced from PubChem (CID 106589409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).