2-(1-benzofuran-2-yl)-2-(4-methylpiperidin-1-yl)ethanamine

C16H22N2O — CID 63897326

IUPAC2-(1-benzofuran-2-yl)-2-(4-methylpiperidin-1-yl)ethanamine
SMILESCC1CCN(C(CN)c2cc3ccccc3o2)CC1
InChIInChI=1S/C16H22N2O/c1-12-6-8-18(9-7-12)14(11-17)16-10-13-4-2-3-5-15(13)19-16/h2-5,10,12,14H,6-9,11,17H2,1H3
InChIKeyLTWBVKIWGYZXEQ-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.16
Rot. Bonds3

About 2-(1-benzofuran-2-yl)-2-(4-methylpiperidin-1-yl)ethanamine

2-(1-benzofuran-2-yl)-2-(4-methylpiperidin-1-yl)ethanamine (PubChem CID 63897326) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-2-(4-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-2-(4-methylpiperidin-1-yl)ethanamine
PubChem CID63897326
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-(1-benzofuran-2-yl)-2-(4-methylpiperidin-1-yl)ethanamine
SMILESCC1CCN(C(CN)c2cc3ccccc3o2)CC1
InChIInChI=1S/C16H22N2O/c1-12-6-8-18(9-7-12)14(11-17)16-10-13-4-2-3-5-15(13)19-16/h2-5,10,12,14H,6-9,11,17H2,1H3
InChIKeyLTWBVKIWGYZXEQ-UHFFFAOYSA-N
XLogP3.16
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-2-(1-benzofuran-2-yl)ethanamine
CID 63897883
2-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine
CID 63897517
2-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 66391481
2-(5-ethylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 62346543
2-(1-benzofuran-2-yl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine
CID 63898076
1-benzofuran-2-yl-(4-methylcyclohexyl)methanamine
CID 64776063
(2S)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 51656542
2-(1-benzofuran-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine
CID 63898851
2-(3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16793952
(2S)-2-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489474
1-(1-benzofuran-2-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 63462273
1-(1-benzofuran-2-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine
CID 62935690

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-2-(4-methylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(1-benzofuran-2-yl)-2-(4-methylpiperidin-1-yl)ethanamine (CID 63897326) is 2-(1-benzofuran-2-yl)-2-(4-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-2-(4-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(1-benzofuran-2-yl)-2-(4-methylpiperidin-1-yl)ethanamine is CC1CCN(C(CN)c2cc3ccccc3o2)CC1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-2-(4-methylpiperidin-1-yl)ethanamine?
The InChIKey is LTWBVKIWGYZXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-6-8-18(9-7-12)14(11-17)16-10-13-4-2-3-5-15(13)19-16/h2-5,10,12,14H,6-9,11,17H2,1H3.
What are the key properties of 2-(1-benzofuran-2-yl)-2-(4-methylpiperidin-1-yl)ethanamine?
2-(1-benzofuran-2-yl)-2-(4-methylpiperidin-1-yl)ethanamine has a molecular weight of 258.37 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-2-(4-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 63897326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).