1-[3-[(3,5-dimethylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine

C18H26N2O — CID 62423940

IUPAC1-[3-[(3,5-dimethylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine
SMILESCNCc1oc2ccccc2c1CN1CC(C)CC(C)C1
InChIInChI=1S/C18H26N2O/c1-13-8-14(2)11-20(10-13)12-16-15-6-4-5-7-17(15)21-18(16)9-19-3/h4-7,13-14,19H,8-12H2,1-3H3
InChIKeyXETNBAQFVWVOCO-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.63
Rot. Bonds4

About 1-[3-[(3,5-dimethylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine

1-[3-[(3,5-dimethylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine (PubChem CID 62423940) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[3-[(3,5-dimethylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(3,5-dimethylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine
PubChem CID62423940
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-[3-[(3,5-dimethylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine
SMILESCNCc1oc2ccccc2c1CN1CC(C)CC(C)C1
InChIInChI=1S/C18H26N2O/c1-13-8-14(2)11-20(10-13)12-16-15-6-4-5-7-17(15)21-18(16)9-19-3/h4-7,13-14,19H,8-12H2,1-3H3
InChIKeyXETNBAQFVWVOCO-UHFFFAOYSA-N
XLogP3.63
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine
CID 62437372
N-methyl-1-[2-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]methanamine
CID 62424895
N-methyl-1-[2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1-benzofuran-3-yl]methanamine
CID 62974116
1-[3-(imidazol-1-ylmethyl)-1-benzofuran-2-yl]-N-methylmethanamine
CID 62446991
N-[[3-[(2-methylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine
CID 62438923
1-[3-[(2-ethylimidazol-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine
CID 62442757
1-[2-[(3-ethylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
CID 62433787
N-methyl-1-[3-(2-pyrrolidin-1-ylethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62459476
1-[5-[(3,5-dimethylpiperidin-1-yl)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107555653
1-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
CID 83219900
N-methyl-1-[2-[(4-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine
CID 62443561
(3R,4R)-4-amino-1-[(2-ethyl-1-benzofuran-3-yl)methyl]pyrrolidin-3-ol;dihydrochloride
CID 154906463

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3,5-dimethylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(3,5-dimethylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine (CID 62423940) is 1-[3-[(3,5-dimethylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(3,5-dimethylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(3,5-dimethylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine is CNCc1oc2ccccc2c1CN1CC(C)CC(C)C1.
What is the InChIKey of 1-[3-[(3,5-dimethylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine?
The InChIKey is XETNBAQFVWVOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13-8-14(2)11-20(10-13)12-16-15-6-4-5-7-17(15)21-18(16)9-19-3/h4-7,13-14,19H,8-12H2,1-3H3.
What are the key properties of 1-[3-[(3,5-dimethylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine?
1-[3-[(3,5-dimethylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine has a molecular weight of 286.42 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3,5-dimethylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine is sourced from PubChem (CID 62423940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).