2-[4-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]piperidin-1-yl]ethanol;2-(4-cyclohexylpiperidin-1-yl)ethanol;2,6-dibromopyridine;2-[4-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]piperidin-1-yl]ethanol;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane;dihydrochloride

C86H132BBr3Cl2N8O5 — CID 159304930

About 2-[4-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]piperidin-1-yl]ethanol;2-(4-cyclohexylpiperidin-1-yl)ethanol;2,6-dibromopyridine;2-[4-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]piperidin-1-yl]ethanol;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane;dihydrochloride

2-[4-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]piperidin-1-yl]ethanol;2-(4-cyclohexylpiperidin-1-yl)ethanol;2,6-dibromopyridine;2-[4-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]piperidin-1-yl]ethanol;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane;dihydrochloride (PubChem CID 159304930) has the molecular formula C86H132BBr3Cl2N8O5 and a molecular weight of 1679.48 g/mol. Its IUPAC name is 2-[4-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]piperidin-1-yl]ethanol;2-(4-cyclohexylpiperidin-1-yl)ethanol;2,6-dibromopyridine;2-[4-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]piperidin-1-yl]ethanol;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane;dihydrochloride.

Molecular Properties

• Compound Name: 2-[4-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]piperidin-1-yl]ethanol;2-(4-cyclohexylpiperidin-1-yl)ethanol;2,6-dibromopyridine;2-[4-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]piperidin-1-yl]ethanol;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane;dihydrochloride
• PubChem CID: 159304930
• Molecular Formula: C86H132BBr3Cl2N8O5
• Molecular Weight: 1679.48 g/mol
• Exact Mass: 1674.73
• IUPAC Name: 2-[4-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]piperidin-1-yl]ethanol;2-(4-cyclohexylpiperidin-1-yl)ethanol;2,6-dibromopyridine;2-[4-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]piperidin-1-yl]ethanol;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane;dihydrochloride
• SMILES: Brc1cccc(Br)n1.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(C5CCN(CCO)CC5)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21.Cl.Cl.OCCN1CCC(C2CCCCC2)CC1.OCCN1CCC(C2CCN(c3cccc(Br)n3)CC2)CC1
• InChI: InChI=1S/C31H45N3O.C20H31BO2.C17H26BrN3O.C13H25NO.C5H3Br2N.2ClH/c1-30(2)14-15-31(3,4)27-22-25(8-9-26(27)30)28-6-5-7-29(32-28)34-18-12-24(13-19-34)23-10-16-33(17-11-23)20-21-35;1-17(2)11-12-18(3,4)16-13-14(9-10-15(16)17)21-22-19(5,6)20(7,8)23-21;18-16-2-1-3-17(19-16)21-10-6-15(7-11-21)14-4-8-20(9-5-14)12-13-22;15-11-10-14-8-6-13(7-9-14)12-4-2-1-3-5-12;6-4-2-1-3-5(7)8-4;;/h5-9,22-24,35H,10-21H2,1-4H3;9-10,13H,11-12H2,1-8H3;1-3,14-15,22H,4-13H2;12-13,15H,1-11H2;1-3H;2*1H
• InChIKey: VOZRDJBCVQDESX-UHFFFAOYSA-N
• XLogP: 18.84
• TPSA: 134.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1679.48
LogP ≤ 5	18.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]piperidin-1-yl]ethanol;2-(4-cyclohexylpiperidin-1-yl)ethanol;2,6-dibromopyridine;2-[4-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]piperidin-1-yl]ethanol;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane;dihydrochloride?

The IUPAC name of 2-[4-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]piperidin-1-yl]ethanol;2-(4-cyclohexylpiperidin-1-yl)ethanol;2,6-dibromopyridine;2-[4-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]piperidin-1-yl]ethanol;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane;dihydrochloride (CID 159304930) is 2-[4-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]piperidin-1-yl]ethanol;2-(4-cyclohexylpiperidin-1-yl)ethanol;2,6-dibromopyridine;2-[4-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]piperidin-1-yl]ethanol;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane;dihydrochloride.

What is the SMILES notation for 2-[4-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]piperidin-1-yl]ethanol;2-(4-cyclohexylpiperidin-1-yl)ethanol;2,6-dibromopyridine;2-[4-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]piperidin-1-yl]ethanol;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane;dihydrochloride?

The canonical SMILES for 2-[4-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]piperidin-1-yl]ethanol;2-(4-cyclohexylpiperidin-1-yl)ethanol;2,6-dibromopyridine;2-[4-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]piperidin-1-yl]ethanol;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane;dihydrochloride is Brc1cccc(Br)n1.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(C5CCN(CCO)CC5)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21.Cl.Cl.OCCN1CCC(C2CCCCC2)CC1.OCCN1CCC(C2CCN(c3cccc(Br)n3)CC2)CC1.

What is the InChIKey of 2-[4-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]piperidin-1-yl]ethanol;2-(4-cyclohexylpiperidin-1-yl)ethanol;2,6-dibromopyridine;2-[4-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]piperidin-1-yl]ethanol;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane;dihydrochloride?

The InChIKey is VOZRDJBCVQDESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H45N3O.C20H31BO2.C17H26BrN3O.C13H25NO.C5H3Br2N.2ClH/c1-30(2)14-15-31(3,4)27-22-25(8-9-26(27)30)28-6-5-7-29(32-28)34-18-12-24(13-19-34)23-10-16-33(17-11-23)20-21-35;1-17(2)11-12-18(3,4)16-13-14(9-10-15(16)17)21-22-19(5,6)20(7,8)23-21;18-16-2-1-3-17(19-16)21-10-6-15(7-11-21)14-4-8-20(9-5-14)12-13-22;15-11-10-14-8-6-13(7-9-14)12-4-2-1-3-5-12;6-4-2-1-3-5(7)8-4;;/h5-9,22-24,35H,10-21H2,1-4H3;9-10,13H,11-12H2,1-8H3;1-3,14-15,22H,4-13H2;12-13,15H,1-11H2;1-3H;2*1H.

What are the key properties of 2-[4-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]piperidin-1-yl]ethanol;2-(4-cyclohexylpiperidin-1-yl)ethanol;2,6-dibromopyridine;2-[4-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]piperidin-1-yl]ethanol;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane;dihydrochloride?

2-[4-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]piperidin-1-yl]ethanol;2-(4-cyclohexylpiperidin-1-yl)ethanol;2,6-dibromopyridine;2-[4-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]piperidin-1-yl]ethanol;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane;dihydrochloride has a molecular weight of 1679.48 g/mol, XLogP of 18.84, 13 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[1-(6-bromo-2-pyridinyl)piperidin-4-yl]piperidin-1-yl]ethanol;2-(4-cyclohexylpiperidin-1-yl)ethanol;2,6-dibromopyridine;2-[4-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]piperidin-1-yl]ethanol;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane;dihydrochloride is sourced from PubChem (CID 159304930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).