[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]methanamine

C18H26N2O — CID 63160099

IUPAC[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]methanamine
SMILESCCC1(C)CCN(Cc2c(CN)oc3ccccc23)CC1
InChIInChI=1S/C18H26N2O/c1-3-18(2)8-10-20(11-9-18)13-15-14-6-4-5-7-16(14)21-17(15)12-19/h4-7H,3,8-13,19H2,1-2H3
InChIKeyHEYVVWHGWOBWPY-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.90
Rot. Bonds4

About [3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]methanamine

[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]methanamine (PubChem CID 63160099) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is [3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]methanamine
PubChem CID63160099
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]methanamine
SMILESCCC1(C)CCN(Cc2c(CN)oc3ccccc23)CC1
InChIInChI=1S/C18H26N2O/c1-3-18(2)8-10-20(11-9-18)13-15-14-6-4-5-7-16(14)21-17(15)12-19/h4-7H,3,8-13,19H2,1-2H3
InChIKeyHEYVVWHGWOBWPY-UHFFFAOYSA-N
XLogP3.90
TPSA42.40 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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(4-ethylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine
CID 62418572
2-[(2-ethyl-1-benzofuran-3-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906699
[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]methanamine
CID 63217954
[1-[(2-ethyl-1-benzofuran-3-yl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride
CID 154904546
1-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(2-methoxyethyl)piperazine
CID 112804969
[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-1-benzofuran-2-yl]methanamine
CID 64578877
[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine
CID 107113388
(3R,4R)-4-amino-1-[(2-ethyl-1-benzofuran-3-yl)methyl]pyrrolidin-3-ol;dihydrochloride
CID 154906463
[3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1-benzofuran-2-yl]methanamine
CID 102886834
[3-[(2,5-dimethylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methanamine
CID 62432254
[2-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-benzofuran-3-yl]methanamine
CID 62417858
N-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine
CID 62437372

Frequently Asked Questions

What is the IUPAC name of [3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]methanamine?
The IUPAC name of [3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]methanamine (CID 63160099) is [3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]methanamine is CCC1(C)CCN(Cc2c(CN)oc3ccccc23)CC1.
What is the InChIKey of [3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]methanamine?
The InChIKey is HEYVVWHGWOBWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-3-18(2)8-10-20(11-9-18)13-15-14-6-4-5-7-16(14)21-17(15)12-19/h4-7H,3,8-13,19H2,1-2H3.
What are the key properties of [3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]methanamine?
[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]methanamine has a molecular weight of 286.42 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 63160099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).