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

C16H23FN2O — CID 81459003

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

3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-amine (PubChem CID 81459003) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-amine.

Molecular Properties

• Compound Name: 3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-amine
• PubChem CID: 81459003
• Molecular Formula: C16H23FN2O
• Molecular Weight: 278.37 g/mol
• Exact Mass: 278.18
• IUPAC Name: 3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-amine
• SMILES: CCC1CN(CC2Cc3cc(F)ccc3O2)CCC1N
• InChI: InChI=1S/C16H23FN2O/c1-2-11-9-19(6-5-15(11)18)10-14-8-12-7-13(17)3-4-16(12)20-14/h3-4,7,11,14-15H,2,5-6,8-10,18H2,1H3
• InChIKey: OFCGMQAEKZEYLV-UHFFFAOYSA-N
• XLogP: 2.19
• 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	278.37
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-amine (CID 81459003) is 3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-amine.

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

The canonical SMILES for 3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-amine is CCC1CN(CC2Cc3cc(F)ccc3O2)CCC1N.

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

The InChIKey is OFCGMQAEKZEYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-2-11-9-19(6-5-15(11)18)10-14-8-12-7-13(17)3-4-16(12)20-14/h3-4,7,11,14-15H,2,5-6,8-10,18H2,1H3.

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

3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-amine has a molecular weight of 278.37 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 81459003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).