[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]methanamine

C16H24N2O — CID 66361908

About [1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]methanamine

[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]methanamine (PubChem CID 66361908) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is [1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]methanamine.

Molecular Properties

• Compound Name: [1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]methanamine
• PubChem CID: 66361908
• Molecular Formula: C16H24N2O
• Molecular Weight: 260.38 g/mol
• Exact Mass: 260.19
• IUPAC Name: [1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]methanamine
• SMILES: Cc1ccc2c(c1)CC(CN1CCC(CN)CC1)O2
• InChI: InChI=1S/C16H24N2O/c1-12-2-3-16-14(8-12)9-15(19-16)11-18-6-4-13(10-17)5-7-18/h2-3,8,13,15H,4-7,9-11,17H2,1H3
• InChIKey: FBAIMJFIWNZAES-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 38.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	260.38
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]methanamine?

The IUPAC name of [1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]methanamine (CID 66361908) is [1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]methanamine.

What is the SMILES notation for [1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]methanamine?

The canonical SMILES for [1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]methanamine is Cc1ccc2c(c1)CC(CN1CCC(CN)CC1)O2.

What is the InChIKey of [1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]methanamine?

The InChIKey is FBAIMJFIWNZAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-2-3-16-14(8-12)9-15(19-16)11-18-6-4-13(10-17)5-7-18/h2-3,8,13,15H,4-7,9-11,17H2,1H3.

What are the key properties of [1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]methanamine?

[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]methanamine has a molecular weight of 260.38 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 66361908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).