[1-[2-[(3-fluoro-2-pyridinyl)sulfanyl]propyl]-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]methanol

C27H34FN3O2S — CID 22455800

About [1-[2-[(3-fluoro-2-pyridinyl)sulfanyl]propyl]-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]methanol

[1-[2-[(3-fluoro-2-pyridinyl)sulfanyl]propyl]-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]methanol (PubChem CID 22455800) has the molecular formula C27H34FN3O2S and a molecular weight of 483.65 g/mol. Its IUPAC name is [1-[2-[(3-fluoro-2-pyridinyl)sulfanyl]propyl]-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]methanol.

Molecular Properties

• Compound Name: [1-[2-[(3-fluoro-2-pyridinyl)sulfanyl]propyl]-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]methanol
• PubChem CID: 22455800
• Molecular Formula: C27H34FN3O2S
• Molecular Weight: 483.65 g/mol
• Exact Mass: 483.24
• IUPAC Name: [1-[2-[(3-fluoro-2-pyridinyl)sulfanyl]propyl]-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]methanol
• SMILES: COc1ccc2nccc(CCCC3CCN(CC(C)Sc4ncccc4F)CC3CO)c2c1
• InChI: InChI=1S/C27H34FN3O2S/c1-19(34-27-25(28)7-4-12-30-27)16-31-14-11-20(22(17-31)18-32)5-3-6-21-10-13-29-26-9-8-23(33-2)15-24(21)26/h4,7-10,12-13,15,19-20,22,32H,3,5-6,11,14,16-18H2,1-2H3
• InChIKey: CHCQOKMSACSCRY-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 58.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.65
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-[2-[(3-fluoro-2-pyridinyl)sulfanyl]propyl]-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]methanol?

The IUPAC name of [1-[2-[(3-fluoro-2-pyridinyl)sulfanyl]propyl]-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]methanol (CID 22455800) is [1-[2-[(3-fluoro-2-pyridinyl)sulfanyl]propyl]-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]methanol.

What is the SMILES notation for [1-[2-[(3-fluoro-2-pyridinyl)sulfanyl]propyl]-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]methanol?

The canonical SMILES for [1-[2-[(3-fluoro-2-pyridinyl)sulfanyl]propyl]-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]methanol is COc1ccc2nccc(CCCC3CCN(CC(C)Sc4ncccc4F)CC3CO)c2c1.

What is the InChIKey of [1-[2-[(3-fluoro-2-pyridinyl)sulfanyl]propyl]-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]methanol?

The InChIKey is CHCQOKMSACSCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN3O2S/c1-19(34-27-25(28)7-4-12-30-27)16-31-14-11-20(22(17-31)18-32)5-3-6-21-10-13-29-26-9-8-23(33-2)15-24(21)26/h4,7-10,12-13,15,19-20,22,32H,3,5-6,11,14,16-18H2,1-2H3.

What are the key properties of [1-[2-[(3-fluoro-2-pyridinyl)sulfanyl]propyl]-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]methanol?

[1-[2-[(3-fluoro-2-pyridinyl)sulfanyl]propyl]-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]methanol has a molecular weight of 483.65 g/mol, XLogP of 5.21, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-[(3-fluoro-2-pyridinyl)sulfanyl]propyl]-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]methanol is sourced from PubChem (CID 22455800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).