1-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-2-yl]ethanamine

C17H24N2O — CID 63254702

IUPAC1-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1C(C)c1cc2ccccc2o1
InChIInChI=1S/C17H24N2O/c1-12(18)15-8-5-6-10-19(15)13(2)17-11-14-7-3-4-9-16(14)20-17/h3-4,7,9,11-13,15H,5-6,8,10,18H2,1-2H3
InChIKeyWWWQUMGWJQCHIL-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.70
Rot. Bonds3

About 1-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-2-yl]ethanamine

1-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-2-yl]ethanamine (PubChem CID 63254702) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-2-yl]ethanamine
PubChem CID63254702
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1C(C)c1cc2ccccc2o1
InChIInChI=1S/C17H24N2O/c1-12(18)15-8-5-6-10-19(15)13(2)17-11-14-7-3-4-9-16(14)20-17/h3-4,7,9,11-13,15H,5-6,8,10,18H2,1-2H3
InChIKeyWWWQUMGWJQCHIL-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-aminoethyl)piperidin-1-yl]-2-(1-benzofuran-2-yl)propan-1-one;hydrochloride
CID 119436109
[1-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80505273
1-(1-benzofuran-2-yl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 43266458
N-[1-(1-benzofuran-2-yl)ethyl]cyclopropanamine
CID 18071242
4-[1-[2-(1-aminoethyl)piperidin-1-yl]ethyl]phenol
CID 55169337
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
1-benzofuran-2-yl-(2-methylcyclopentyl)methanamine
CID 107191076
1-[1-[1-(4-ethylphenyl)ethyl]piperidin-2-yl]ethanamine
CID 63254747
4-N-[1-(1-benzofuran-2-yl)ethyl]cyclohexane-1,4-diamine
CID 62314222
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(1-benzofuran-2-yl)propan-1-one;hydrochloride
CID 119518879
1-benzofuran-2-yl(cyclohexyl)methanol
CID 63090422
1-benzofuran-2-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanamine
CID 114730606

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-2-yl]ethanamine (CID 63254702) is 1-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-2-yl]ethanamine is CC(N)C1CCCCN1C(C)c1cc2ccccc2o1.
What is the InChIKey of 1-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-2-yl]ethanamine?
The InChIKey is WWWQUMGWJQCHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12(18)15-8-5-6-10-19(15)13(2)17-11-14-7-3-4-9-16(14)20-17/h3-4,7,9,11-13,15H,5-6,8,10,18H2,1-2H3.
What are the key properties of 1-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-2-yl]ethanamine?
1-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-2-yl]ethanamine has a molecular weight of 272.39 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 63254702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).