[1-(1-benzofuran-3-ylmethyl)-4-methylpiperazin-2-yl]methanamine

C15H21N3O — CID 80703416

IUPAC[1-(1-benzofuran-3-ylmethyl)-4-methylpiperazin-2-yl]methanamine
SMILESCN1CCN(Cc2coc3ccccc23)C(CN)C1
InChIInChI=1S/C15H21N3O/c1-17-6-7-18(13(8-16)10-17)9-12-11-19-15-5-3-2-4-14(12)15/h2-5,11,13H,6-10,16H2,1H3
InChIKeyFNXURKUYXWAEHQ-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.51
Rot. Bonds3

About [1-(1-benzofuran-3-ylmethyl)-4-methylpiperazin-2-yl]methanamine

[1-(1-benzofuran-3-ylmethyl)-4-methylpiperazin-2-yl]methanamine (PubChem CID 80703416) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is [1-(1-benzofuran-3-ylmethyl)-4-methylpiperazin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(1-benzofuran-3-ylmethyl)-4-methylpiperazin-2-yl]methanamine
PubChem CID80703416
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name[1-(1-benzofuran-3-ylmethyl)-4-methylpiperazin-2-yl]methanamine
SMILESCN1CCN(Cc2coc3ccccc23)C(CN)C1
InChIInChI=1S/C15H21N3O/c1-17-6-7-18(13(8-16)10-17)9-12-11-19-15-5-3-2-4-14(12)15/h2-5,11,13H,6-10,16H2,1H3
InChIKeyFNXURKUYXWAEHQ-UHFFFAOYSA-N
XLogP1.51
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(1-benzofuran-3-ylmethyl)-4-methylpiperazin-2-yl]methanamine?
The IUPAC name of [1-(1-benzofuran-3-ylmethyl)-4-methylpiperazin-2-yl]methanamine (CID 80703416) is [1-(1-benzofuran-3-ylmethyl)-4-methylpiperazin-2-yl]methanamine.
What is the SMILES notation for [1-(1-benzofuran-3-ylmethyl)-4-methylpiperazin-2-yl]methanamine?
The canonical SMILES for [1-(1-benzofuran-3-ylmethyl)-4-methylpiperazin-2-yl]methanamine is CN1CCN(Cc2coc3ccccc23)C(CN)C1.
What is the InChIKey of [1-(1-benzofuran-3-ylmethyl)-4-methylpiperazin-2-yl]methanamine?
The InChIKey is FNXURKUYXWAEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-17-6-7-18(13(8-16)10-17)9-12-11-19-15-5-3-2-4-14(12)15/h2-5,11,13H,6-10,16H2,1H3.
What are the key properties of [1-(1-benzofuran-3-ylmethyl)-4-methylpiperazin-2-yl]methanamine?
[1-(1-benzofuran-3-ylmethyl)-4-methylpiperazin-2-yl]methanamine has a molecular weight of 259.35 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-benzofuran-3-ylmethyl)-4-methylpiperazin-2-yl]methanamine is sourced from PubChem (CID 80703416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).