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

C16H23ClN2O — CID 66360453

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

1-[1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]ethanamine (PubChem CID 66360453) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 1-[1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]ethanamine.

Molecular Properties

• Compound Name: 1-[1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]ethanamine
• PubChem CID: 66360453
• Molecular Formula: C16H23ClN2O
• Molecular Weight: 294.83 g/mol
• Exact Mass: 294.15
• IUPAC Name: 1-[1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]ethanamine
• SMILES: CC(N)C1CCN(CC2Cc3cc(Cl)ccc3O2)CC1
• InChI: InChI=1S/C16H23ClN2O/c1-11(18)12-4-6-19(7-5-12)10-15-9-13-8-14(17)2-3-16(13)20-15/h2-3,8,11-12,15H,4-7,9-10,18H2,1H3
• InChIKey: MKSHKHUYQPQYBP-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 38.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	294.83
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 1-[1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]ethanamine (CID 66360453) is 1-[1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]ethanamine.

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

The canonical SMILES for 1-[1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]ethanamine is CC(N)C1CCN(CC2Cc3cc(Cl)ccc3O2)CC1.

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

The InChIKey is MKSHKHUYQPQYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-11(18)12-4-6-19(7-5-12)10-15-9-13-8-14(17)2-3-16(13)20-15/h2-3,8,11-12,15H,4-7,9-10,18H2,1H3.

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

1-[1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]ethanamine has a molecular weight of 294.83 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 66360453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).