1-[1-(4-chloro-1,3,5-triazin-2-yl)piperidin-4-yl]piperidin-3-ol;1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]piperidin-3-ol;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane

C60H90BClN10O4 — CID 159446067

About 1-[1-(4-chloro-1,3,5-triazin-2-yl)piperidin-4-yl]piperidin-3-ol;1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]piperidin-3-ol;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane

1-[1-(4-chloro-1,3,5-triazin-2-yl)piperidin-4-yl]piperidin-3-ol;1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]piperidin-3-ol;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane (PubChem CID 159446067) has the molecular formula C60H90BClN10O4 and a molecular weight of 1061.71 g/mol. Its IUPAC name is 1-[1-(4-chloro-1,3,5-triazin-2-yl)piperidin-4-yl]piperidin-3-ol;1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]piperidin-3-ol;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 1-[1-(4-chloro-1,3,5-triazin-2-yl)piperidin-4-yl]piperidin-3-ol;1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]piperidin-3-ol;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 159446067
• Molecular Formula: C60H90BClN10O4
• Molecular Weight: 1061.71 g/mol
• Exact Mass: 1060.69
• IUPAC Name: 1-[1-(4-chloro-1,3,5-triazin-2-yl)piperidin-4-yl]piperidin-3-ol;1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]piperidin-3-ol;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane
• SMILES: CC1(C)CCC(C)(C)c2cc(-c3ncnc(N4CCC(N5CCCC(O)C5)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21.OC1CCCN(C2CCN(c3ncnc(Cl)n3)CC2)C1
• InChI: InChI=1S/C27H39N5O.C20H31BO2.C13H20ClN5O/c1-26(2)11-12-27(3,4)23-16-19(7-8-22(23)26)24-28-18-29-25(30-24)31-14-9-20(10-15-31)32-13-5-6-21(33)17-32;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;14-12-15-9-16-13(17-12)18-6-3-10(4-7-18)19-5-1-2-11(20)8-19/h7-8,16,18,20-21,33H,5-6,9-15,17H2,1-4H3;9-10,13H,11-12H2,1-8H3;9-11,20H,1-8H2
• InChIKey: LSTXNUXMESHGLU-UHFFFAOYSA-N
• XLogP: 9.60
• TPSA: 149.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1061.71
LogP ≤ 5	9.60
H-Bond Donors ≤ 5	2
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-[1-(4-chloro-1,3,5-triazin-2-yl)piperidin-4-yl]piperidin-3-ol;1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]piperidin-3-ol;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 1-[1-(4-chloro-1,3,5-triazin-2-yl)piperidin-4-yl]piperidin-3-ol;1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]piperidin-3-ol;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane (CID 159446067) is 1-[1-(4-chloro-1,3,5-triazin-2-yl)piperidin-4-yl]piperidin-3-ol;1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]piperidin-3-ol;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 1-[1-(4-chloro-1,3,5-triazin-2-yl)piperidin-4-yl]piperidin-3-ol;1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]piperidin-3-ol;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 1-[1-(4-chloro-1,3,5-triazin-2-yl)piperidin-4-yl]piperidin-3-ol;1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]piperidin-3-ol;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane is CC1(C)CCC(C)(C)c2cc(-c3ncnc(N4CCC(N5CCCC(O)C5)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21.OC1CCCN(C2CCN(c3ncnc(Cl)n3)CC2)C1.

What is the InChIKey of 1-[1-(4-chloro-1,3,5-triazin-2-yl)piperidin-4-yl]piperidin-3-ol;1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]piperidin-3-ol;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane?

The InChIKey is LSTXNUXMESHGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N5O.C20H31BO2.C13H20ClN5O/c1-26(2)11-12-27(3,4)23-16-19(7-8-22(23)26)24-28-18-29-25(30-24)31-14-9-20(10-15-31)32-13-5-6-21(33)17-32;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;14-12-15-9-16-13(17-12)18-6-3-10(4-7-18)19-5-1-2-11(20)8-19/h7-8,16,18,20-21,33H,5-6,9-15,17H2,1-4H3;9-10,13H,11-12H2,1-8H3;9-11,20H,1-8H2.

What are the key properties of 1-[1-(4-chloro-1,3,5-triazin-2-yl)piperidin-4-yl]piperidin-3-ol;1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]piperidin-3-ol;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane?

1-[1-(4-chloro-1,3,5-triazin-2-yl)piperidin-4-yl]piperidin-3-ol;1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]piperidin-3-ol;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1061.71 g/mol, XLogP of 9.60, 6 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(4-chloro-1,3,5-triazin-2-yl)piperidin-4-yl]piperidin-3-ol;1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]piperidin-3-ol;4,4,5,5-tetramethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 159446067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).