1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylpiperidin-3-amine

C18H26N2O — CID 62536168

IUPAC1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylpiperidin-3-amine
SMILESCCc1c(C(C)N2CCCC(NC)C2)oc2ccccc12
InChIInChI=1S/C18H26N2O/c1-4-15-16-9-5-6-10-17(16)21-18(15)13(2)20-11-7-8-14(12-20)19-3/h5-6,9-10,13-14,19H,4,7-8,11-12H2,1-3H3
InChIKeyRONAZONTQVEQHV-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.74
Rot. Bonds4

About 1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylpiperidin-3-amine

1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylpiperidin-3-amine (PubChem CID 62536168) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylpiperidin-3-amine
PubChem CID62536168
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylpiperidin-3-amine
SMILESCCc1c(C(C)N2CCCC(NC)C2)oc2ccccc12
InChIInChI=1S/C18H26N2O/c1-4-15-16-9-5-6-10-17(16)21-18(15)13(2)20-11-7-8-14(12-20)19-3/h5-6,9-10,13-14,19H,4,7-8,11-12H2,1-3H3
InChIKeyRONAZONTQVEQHV-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,5-dimethylpiperazine
CID 63862790
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]cyclobutanamine
CID 55067360
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-1-methylpyrrolidin-3-amine
CID 61462424
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 114544145
N-[(2-ethyl-1-benzofuran-3-yl)methyl]cyclooctanamine
CID 43226088
[(3S)-3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)-1-benzofuran-2-yl]methanone
CID 124575208
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80715279
N-methyl-1-[1-(1-phenylethyl)piperidin-3-yl]methanamine;hydrochloride
CID 119914413
N-methyl-1-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidin-3-amine
CID 62536351
1-[1-(2-fluorophenyl)propan-2-yl]-N-methylpiperidin-3-amine
CID 114832275
3-amino-3-(3-ethyl-1-benzofuran-2-yl)propan-1-ol
CID 64812611
N-methyl-1-[1-(3-methylthiophen-2-yl)ethyl]piperidin-3-amine
CID 63992505

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylpiperidin-3-amine?
The IUPAC name of 1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylpiperidin-3-amine (CID 62536168) is 1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylpiperidin-3-amine?
The canonical SMILES for 1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylpiperidin-3-amine is CCc1c(C(C)N2CCCC(NC)C2)oc2ccccc12.
What is the InChIKey of 1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylpiperidin-3-amine?
The InChIKey is RONAZONTQVEQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-4-15-16-9-5-6-10-17(16)21-18(15)13(2)20-11-7-8-14(12-20)19-3/h5-6,9-10,13-14,19H,4,7-8,11-12H2,1-3H3.
What are the key properties of 1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylpiperidin-3-amine?
1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylpiperidin-3-amine has a molecular weight of 286.42 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 62536168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).