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

C16H23N3O — CID 62418572

IUPAC[3-[(4-ethylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine
SMILESCCN1CCN(Cc2c(CN)oc3ccccc23)CC1
InChIInChI=1S/C16H23N3O/c1-2-18-7-9-19(10-8-18)12-14-13-5-3-4-6-15(13)20-16(14)11-17/h3-6H,2,7-12,17H2,1H3
InChIKeyDXMVHGJGWZOPCJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.03
Rot. Bonds4

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

[3-[(4-ethylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine (PubChem CID 62418572) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is [3-[(4-ethylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[3-[(4-ethylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine
PubChem CID62418572
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name[3-[(4-ethylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine
SMILESCCN1CCN(Cc2c(CN)oc3ccccc23)CC1
InChIInChI=1S/C16H23N3O/c1-2-18-7-9-19(10-8-18)12-14-13-5-3-4-6-15(13)20-16(14)11-17/h3-6H,2,7-12,17H2,1H3
InChIKeyDXMVHGJGWZOPCJ-UHFFFAOYSA-N
XLogP2.03
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-ethylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine?
The IUPAC name of [3-[(4-ethylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine (CID 62418572) is [3-[(4-ethylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [3-[(4-ethylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [3-[(4-ethylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine is CCN1CCN(Cc2c(CN)oc3ccccc23)CC1.
What is the InChIKey of [3-[(4-ethylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine?
The InChIKey is DXMVHGJGWZOPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-18-7-9-19(10-8-18)12-14-13-5-3-4-6-15(13)20-16(14)11-17/h3-6H,2,7-12,17H2,1H3.
What are the key properties of [3-[(4-ethylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine?
[3-[(4-ethylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine has a molecular weight of 273.38 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-ethylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 62418572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).