5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyrazine;1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)-1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(4-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-phenylphenyl)ethanone

C128H153F7N18O12 — CID 159297075

About 5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyrazine;1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)-1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(4-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-phenylphenyl)ethanone

5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyrazine;1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)-1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(4-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-phenylphenyl)ethanone (PubChem CID 159297075) has the molecular formula C128H153F7N18O12 and a molecular weight of 2268.73 g/mol. Its IUPAC name is 5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyrazine;1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)-1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(4-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-phenylphenyl)ethanone.

Molecular Properties

• Compound Name: 5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyrazine;1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)-1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(4-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-phenylphenyl)ethanone
• PubChem CID: 159297075
• Molecular Formula: C128H153F7N18O12
• Molecular Weight: 2268.73 g/mol
• Exact Mass: 2267.18
• IUPAC Name: 5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyrazine;1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)-1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(4-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-phenylphenyl)ethanone
• SMILES: CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2ccc(F)cc2)CC1.CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2ccccc2-c2ccccc2)CC1.CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2ccccc2F)CC1.COc1ncc(F)nc1CN1CCC(C(=O)Cc2ccccc2F)CC1.COc1ncc(F)nc1CN1CCC(COc2ccccc2F)CC1.COc1nccnc1CN1CCC(C(=O)Cc2ccccc2F)CC1
• InChI: InChI=1S/C28H33N3O2.2C22H28FN3O2.C19H21F2N3O2.C19H22FN3O2.C18H21F2N3O2/c1-28(2,3)33-27-25(29-15-16-30-27)20-31-17-13-22(14-18-31)26(32)19-23-11-7-8-12-24(23)21-9-5-4-6-10-21;1-22(2,3)28-21-19(24-10-11-25-21)15-26-12-8-17(9-13-26)20(27)14-16-4-6-18(23)7-5-16;1-22(2,3)28-21-19(24-10-11-25-21)15-26-12-8-16(9-13-26)20(27)14-17-6-4-5-7-18(17)23;1-26-19-16(23-18(21)11-22-19)12-24-8-6-13(7-9-24)17(25)10-14-4-2-3-5-15(14)20;1-25-19-17(21-8-9-22-19)13-23-10-6-14(7-11-23)18(24)12-15-4-2-3-5-16(15)20;1-24-18-15(22-17(20)10-21-18)11-23-8-6-13(7-9-23)12-25-16-5-3-2-4-14(16)19/h4-12,15-16,22H,13-14,17-20H2,1-3H3;4-7,10-11,17H,8-9,12-15H2,1-3H3;4-7,10-11,16H,8-9,12-15H2,1-3H3;2-5,11,13H,6-10,12H2,1H3;2-5,8-9,14H,6-7,10-13H2,1H3;2-5,10,13H,6-9,11-12H2,1H3
• InChIKey: LAWALVGBEHERRM-UHFFFAOYSA-N
• XLogP: 21.47
• TPSA: 324.08 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 37
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2268.73
LogP ≤ 5	21.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyrazine;1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)-1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(4-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-phenylphenyl)ethanone?

The IUPAC name of 5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyrazine;1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)-1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(4-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-phenylphenyl)ethanone (CID 159297075) is 5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyrazine;1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)-1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(4-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-phenylphenyl)ethanone.

What is the SMILES notation for 5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyrazine;1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)-1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(4-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-phenylphenyl)ethanone?

The canonical SMILES for 5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyrazine;1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)-1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(4-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-phenylphenyl)ethanone is CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2ccc(F)cc2)CC1.CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2ccccc2-c2ccccc2)CC1.CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2ccccc2F)CC1.COc1ncc(F)nc1CN1CCC(C(=O)Cc2ccccc2F)CC1.COc1ncc(F)nc1CN1CCC(COc2ccccc2F)CC1.COc1nccnc1CN1CCC(C(=O)Cc2ccccc2F)CC1.

What is the InChIKey of 5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyrazine;1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)-1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(4-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-phenylphenyl)ethanone?

The InChIKey is LAWALVGBEHERRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2.2C22H28FN3O2.C19H21F2N3O2.C19H22FN3O2.C18H21F2N3O2/c1-28(2,3)33-27-25(29-15-16-30-27)20-31-17-13-22(14-18-31)26(32)19-23-11-7-8-12-24(23)21-9-5-4-6-10-21;1-22(2,3)28-21-19(24-10-11-25-21)15-26-12-8-17(9-13-26)20(27)14-16-4-6-18(23)7-5-16;1-22(2,3)28-21-19(24-10-11-25-21)15-26-12-8-16(9-13-26)20(27)14-17-6-4-5-7-18(17)23;1-26-19-16(23-18(21)11-22-19)12-24-8-6-13(7-9-24)17(25)10-14-4-2-3-5-15(14)20;1-25-19-17(21-8-9-22-19)13-23-10-6-14(7-11-23)18(24)12-15-4-2-3-5-16(15)20;1-24-18-15(22-17(20)10-21-18)11-23-8-6-13(7-9-23)12-25-16-5-3-2-4-14(16)19/h4-12,15-16,22H,13-14,17-20H2,1-3H3;4-7,10-11,17H,8-9,12-15H2,1-3H3;4-7,10-11,16H,8-9,12-15H2,1-3H3;2-5,11,13H,6-10,12H2,1H3;2-5,8-9,14H,6-7,10-13H2,1H3;2-5,10,13H,6-9,11-12H2,1H3.

What are the key properties of 5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyrazine;1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)-1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(4-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-phenylphenyl)ethanone?

5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyrazine;1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)-1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(4-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-phenylphenyl)ethanone has a molecular weight of 2268.73 g/mol, XLogP of 21.47, 37 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyrazine;1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)-1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(4-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-phenylphenyl)ethanone is sourced from PubChem (CID 159297075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).