1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carboxylic acid

C15H18FNO3 — CID 66365126

About 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carboxylic acid

1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 66365126) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

• Compound Name: 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carboxylic acid
• PubChem CID: 66365126
• Molecular Formula: C15H18FNO3
• Molecular Weight: 279.31 g/mol
• Exact Mass: 279.13
• IUPAC Name: 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carboxylic acid
• SMILES: O=C(O)C1CCN(CC2Cc3cc(F)ccc3O2)CC1
• InChI: InChI=1S/C15H18FNO3/c16-12-1-2-14-11(7-12)8-13(20-14)9-17-5-3-10(4-6-17)15(18)19/h1-2,7,10,13H,3-6,8-9H2,(H,18,19)
• InChIKey: WULYWRGEQIXWHM-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 49.77 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	279.31
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carboxylic acid?

The IUPAC name of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carboxylic acid (CID 66365126) is 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carboxylic acid.

What is the SMILES notation for 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carboxylic acid?

The canonical SMILES for 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(CC2Cc3cc(F)ccc3O2)CC1.

What is the InChIKey of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carboxylic acid?

The InChIKey is WULYWRGEQIXWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c16-12-1-2-14-11(7-12)8-13(20-14)9-17-5-3-10(4-6-17)15(18)19/h1-2,7,10,13H,3-6,8-9H2,(H,18,19).

What are the key properties of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carboxylic acid?

1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 279.31 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 66365126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).