trimethyl-[1-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-yl]oxysilane

C19H34BN3O3Si — CID 140675444

About trimethyl-[1-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-yl]oxysilane

trimethyl-[1-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-yl]oxysilane (PubChem CID 140675444) has the molecular formula C19H34BN3O3Si and a molecular weight of 391.40 g/mol. Its IUPAC name is trimethyl-[1-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-yl]oxysilane.

Molecular Properties

• Compound Name: trimethyl-[1-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-yl]oxysilane
• PubChem CID: 140675444
• Molecular Formula: C19H34BN3O3Si
• Molecular Weight: 391.40 g/mol
• Exact Mass: 391.25
• IUPAC Name: trimethyl-[1-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-yl]oxysilane
• SMILES: CN1CCC(O[Si](C)(C)C)(c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1
• InChI: InChI=1S/C19H34BN3O3Si/c1-17(2)18(3,4)25-20(24-17)15-13-21-16(22-14-15)19(26-27(6,7)8)9-11-23(5)12-10-19/h13-14H,9-12H2,1-8H3
• InChIKey: VZJMKXGKJLPUHA-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 56.71 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.40
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-yl]oxysilane?

The IUPAC name of trimethyl-[1-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-yl]oxysilane (CID 140675444) is trimethyl-[1-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-yl]oxysilane.

What is the SMILES notation for trimethyl-[1-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-yl]oxysilane?

The canonical SMILES for trimethyl-[1-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-yl]oxysilane is CN1CCC(O[Si](C)(C)C)(c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1.

What is the InChIKey of trimethyl-[1-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-yl]oxysilane?

The InChIKey is VZJMKXGKJLPUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34BN3O3Si/c1-17(2)18(3,4)25-20(24-17)15-13-21-16(22-14-15)19(26-27(6,7)8)9-11-23(5)12-10-19/h13-14H,9-12H2,1-8H3.

What are the key properties of trimethyl-[1-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-yl]oxysilane?

trimethyl-[1-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-yl]oxysilane has a molecular weight of 391.40 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[1-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-yl]oxysilane is sourced from PubChem (CID 140675444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).