1-[4-(4-bromobenzoyl)piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[(4-bromophenyl)-difluoromethyl]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[difluoro-[4-(4-methylquinolin-3-yl)phenyl]methyl]piperidin-1-yl]propan-1-one;3-[4-[difluoro(piperidin-4-yl)methyl]phenyl]-4-methylquinoline;1-[4-[difluoro-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C107H123B3Br2F17N7O11 — CID 163724168

About 1-[4-(4-bromobenzoyl)piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[(4-bromophenyl)-difluoromethyl]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[difluoro-[4-(4-methylquinolin-3-yl)phenyl]methyl]piperidin-1-yl]propan-1-one;3-[4-[difluoro(piperidin-4-yl)methyl]phenyl]-4-methylquinoline;1-[4-[difluoro-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

1-[4-(4-bromobenzoyl)piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[(4-bromophenyl)-difluoromethyl]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[difluoro-[4-(4-methylquinolin-3-yl)phenyl]methyl]piperidin-1-yl]propan-1-one;3-[4-[difluoro(piperidin-4-yl)methyl]phenyl]-4-methylquinoline;1-[4-[difluoro-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 163724168) has the molecular formula C107H123B3Br2F17N7O11 and a molecular weight of 2198.41 g/mol. Its IUPAC name is 1-[4-(4-bromobenzoyl)piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[(4-bromophenyl)-difluoromethyl]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[difluoro-[4-(4-methylquinolin-3-yl)phenyl]methyl]piperidin-1-yl]propan-1-one;3-[4-[difluoro(piperidin-4-yl)methyl]phenyl]-4-methylquinoline;1-[4-[difluoro-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 1-[4-(4-bromobenzoyl)piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[(4-bromophenyl)-difluoromethyl]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[difluoro-[4-(4-methylquinolin-3-yl)phenyl]methyl]piperidin-1-yl]propan-1-one;3-[4-[difluoro(piperidin-4-yl)methyl]phenyl]-4-methylquinoline;1-[4-[difluoro-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 163724168
• Molecular Formula: C107H123B3Br2F17N7O11
• Molecular Weight: 2198.41 g/mol
• Exact Mass: 2195.77
• IUPAC Name: 1-[4-(4-bromobenzoyl)piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[(4-bromophenyl)-difluoromethyl]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[difluoro-[4-(4-methylquinolin-3-yl)phenyl]methyl]piperidin-1-yl]propan-1-one;3-[4-[difluoro(piperidin-4-yl)methyl]phenyl]-4-methylquinoline;1-[4-[difluoro-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(C(F)(F)C3CCN(C(=O)C(F)(F)F)CC3)cc2)OC1(C)C.CCC(=O)N1CCC(C(F)(F)c2ccc(-c3cnc4ccccc4c3C)cc2)CC1.Cc1c(-c2ccc(C(F)(F)C3CCNCC3)cc2)cnc2ccccc12.O=C(N1CCC(C(F)(F)c2ccc(Br)cc2)CC1)C(F)(F)F.O=C(c1ccc(Br)cc1)C1CCN(C(=O)C(F)(F)F)CC1
• InChI: InChI=1S/C25H26F2N2O.C22H22F2N2.C20H25BF5NO3.C14H13BrF5NO.C14H13BrF3NO2.C12H24B2O4/c1-3-24(30)29-14-12-20(13-15-29)25(26,27)19-10-8-18(9-11-19)22-16-28-23-7-5-4-6-21(23)17(22)2;1-15-19-4-2-3-5-21(19)26-14-20(15)16-6-8-17(9-7-16)22(23,24)18-10-12-25-13-11-18;1-17(2)18(3,4)30-21(29-17)15-7-5-13(6-8-15)19(22,23)14-9-11-27(12-10-14)16(28)20(24,25)26;15-11-3-1-9(2-4-11)13(16,17)10-5-7-21(8-6-10)12(22)14(18,19)20;15-11-3-1-9(2-4-11)12(20)10-5-7-19(8-6-10)13(21)14(16,17)18;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h4-11,16,20H,3,12-15H2,1-2H3;2-9,14,18,25H,10-13H2,1H3;5-8,14H,9-12H2,1-4H3;1-4,10H,5-8H2;1-4,10H,5-8H2;1-8H3
• InChIKey: KUDWNFGKWIZVMM-UHFFFAOYSA-N
• XLogP: 25.15
• TPSA: 191.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2198.41
LogP ≤ 5	25.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromobenzoyl)piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[(4-bromophenyl)-difluoromethyl]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[difluoro-[4-(4-methylquinolin-3-yl)phenyl]methyl]piperidin-1-yl]propan-1-one;3-[4-[difluoro(piperidin-4-yl)methyl]phenyl]-4-methylquinoline;1-[4-[difluoro-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 1-[4-(4-bromobenzoyl)piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[(4-bromophenyl)-difluoromethyl]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[difluoro-[4-(4-methylquinolin-3-yl)phenyl]methyl]piperidin-1-yl]propan-1-one;3-[4-[difluoro(piperidin-4-yl)methyl]phenyl]-4-methylquinoline;1-[4-[difluoro-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 163724168) is 1-[4-(4-bromobenzoyl)piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[(4-bromophenyl)-difluoromethyl]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[difluoro-[4-(4-methylquinolin-3-yl)phenyl]methyl]piperidin-1-yl]propan-1-one;3-[4-[difluoro(piperidin-4-yl)methyl]phenyl]-4-methylquinoline;1-[4-[difluoro-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 1-[4-(4-bromobenzoyl)piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[(4-bromophenyl)-difluoromethyl]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[difluoro-[4-(4-methylquinolin-3-yl)phenyl]methyl]piperidin-1-yl]propan-1-one;3-[4-[difluoro(piperidin-4-yl)methyl]phenyl]-4-methylquinoline;1-[4-[difluoro-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 1-[4-(4-bromobenzoyl)piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[(4-bromophenyl)-difluoromethyl]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[difluoro-[4-(4-methylquinolin-3-yl)phenyl]methyl]piperidin-1-yl]propan-1-one;3-[4-[difluoro(piperidin-4-yl)methyl]phenyl]-4-methylquinoline;1-[4-[difluoro-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(C(F)(F)C3CCN(C(=O)C(F)(F)F)CC3)cc2)OC1(C)C.CCC(=O)N1CCC(C(F)(F)c2ccc(-c3cnc4ccccc4c3C)cc2)CC1.Cc1c(-c2ccc(C(F)(F)C3CCNCC3)cc2)cnc2ccccc12.O=C(N1CCC(C(F)(F)c2ccc(Br)cc2)CC1)C(F)(F)F.O=C(c1ccc(Br)cc1)C1CCN(C(=O)C(F)(F)F)CC1.

What is the InChIKey of 1-[4-(4-bromobenzoyl)piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[(4-bromophenyl)-difluoromethyl]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[difluoro-[4-(4-methylquinolin-3-yl)phenyl]methyl]piperidin-1-yl]propan-1-one;3-[4-[difluoro(piperidin-4-yl)methyl]phenyl]-4-methylquinoline;1-[4-[difluoro-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is KUDWNFGKWIZVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N2O.C22H22F2N2.C20H25BF5NO3.C14H13BrF5NO.C14H13BrF3NO2.C12H24B2O4/c1-3-24(30)29-14-12-20(13-15-29)25(26,27)19-10-8-18(9-11-19)22-16-28-23-7-5-4-6-21(23)17(22)2;1-15-19-4-2-3-5-21(19)26-14-20(15)16-6-8-17(9-7-16)22(23,24)18-10-12-25-13-11-18;1-17(2)18(3,4)30-21(29-17)15-7-5-13(6-8-15)19(22,23)14-9-11-27(12-10-14)16(28)20(24,25)26;15-11-3-1-9(2-4-11)13(16,17)10-5-7-21(8-6-10)12(22)14(18,19)20;15-11-3-1-9(2-4-11)12(20)10-5-7-19(8-6-10)13(21)14(16,17)18;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h4-11,16,20H,3,12-15H2,1-2H3;2-9,14,18,25H,10-13H2,1H3;5-8,14H,9-12H2,1-4H3;1-4,10H,5-8H2;1-4,10H,5-8H2;1-8H3.

What are the key properties of 1-[4-(4-bromobenzoyl)piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[(4-bromophenyl)-difluoromethyl]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[difluoro-[4-(4-methylquinolin-3-yl)phenyl]methyl]piperidin-1-yl]propan-1-one;3-[4-[difluoro(piperidin-4-yl)methyl]phenyl]-4-methylquinoline;1-[4-[difluoro-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

1-[4-(4-bromobenzoyl)piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[(4-bromophenyl)-difluoromethyl]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[difluoro-[4-(4-methylquinolin-3-yl)phenyl]methyl]piperidin-1-yl]propan-1-one;3-[4-[difluoro(piperidin-4-yl)methyl]phenyl]-4-methylquinoline;1-[4-[difluoro-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2198.41 g/mol, XLogP of 25.15, 15 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4-bromobenzoyl)piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[(4-bromophenyl)-difluoromethyl]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[difluoro-[4-(4-methylquinolin-3-yl)phenyl]methyl]piperidin-1-yl]propan-1-one;3-[4-[difluoro(piperidin-4-yl)methyl]phenyl]-4-methylquinoline;1-[4-[difluoro-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 163724168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).