1-(1-benzofuran-2-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine

C17H24N2O — CID 62935690

IUPAC1-(1-benzofuran-2-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine
SMILESCC1(C)CCN(CC(N)c2cc3ccccc3o2)CC1
InChIInChI=1S/C17H24N2O/c1-17(2)7-9-19(10-8-17)12-14(18)16-11-13-5-3-4-6-15(13)20-16/h3-6,11,14H,7-10,12,18H2,1-2H3
InChIKeyZDMKHIQHKYLBIH-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.55
Rot. Bonds3

About 1-(1-benzofuran-2-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine

1-(1-benzofuran-2-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine (PubChem CID 62935690) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine
PubChem CID62935690
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-(1-benzofuran-2-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine
SMILESCC1(C)CCN(CC(N)c2cc3ccccc3o2)CC1
InChIInChI=1S/C17H24N2O/c1-17(2)7-9-19(10-8-17)12-14(18)16-11-13-5-3-4-6-15(13)20-16/h3-6,11,14H,7-10,12,18H2,1-2H3
InChIKeyZDMKHIQHKYLBIH-UHFFFAOYSA-N
XLogP3.55
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 66394022
1-(1-benzofuran-2-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537689
1-(1-benzofuran-2-yl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 43266458
2-amino-2-(1-benzofuran-2-yl)ethanol
CID 54265707
N-[1-(1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61471730
1-(1-benzofuran-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanamine
CID 62352150
2-(1-benzofuran-2-yl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 63897326
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
1-(1-benzofuran-2-yl)-2-tert-butylsulfanylethanamine
CID 64614485
1-(1-benzofuran-2-yl)-N'-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 54884595
2-(azepan-1-yl)-2-(1-benzofuran-2-yl)ethanamine
CID 63897883
[1-(1-benzofuran-2-ylmethyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780518

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine (CID 62935690) is 1-(1-benzofuran-2-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine is CC1(C)CCN(CC(N)c2cc3ccccc3o2)CC1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine?
The InChIKey is ZDMKHIQHKYLBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-17(2)7-9-19(10-8-17)12-14(18)16-11-13-5-3-4-6-15(13)20-16/h3-6,11,14H,7-10,12,18H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine?
1-(1-benzofuran-2-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine has a molecular weight of 272.39 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 62935690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).