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

C20H35BN2O3Si — CID 140675459

IUPACtrimethyl-[1-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidin-4-yl]oxysilane
SMILESCN1CCC(O[Si](C)(C)C)(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1
InChIInChI=1S/C20H35BN2O3Si/c1-18(2)19(3,4)25-21(24-18)16-9-10-17(22-15-16)20(26-27(6,7)8)11-13-23(5)14-12-20/h9-10,15H,11-14H2,1-8H3
InChIKeyWSYRGKVECOCXND-UHFFFAOYSA-N
MW390.41 g/mol
LogP3.15
Rot. Bonds4

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

trimethyl-[1-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidin-4-yl]oxysilane (PubChem CID 140675459) has the molecular formula C20H35BN2O3Si and a molecular weight of 390.41 g/mol. Its IUPAC name is trimethyl-[1-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidin-4-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[1-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidin-4-yl]oxysilane
PubChem CID140675459
Molecular FormulaC20H35BN2O3Si
Molecular Weight390.41 g/mol
Exact Mass390.25
IUPAC Nametrimethyl-[1-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidin-4-yl]oxysilane
SMILESCN1CCC(O[Si](C)(C)C)(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1
InChIInChI=1S/C20H35BN2O3Si/c1-18(2)19(3,4)25-21(24-18)16-9-10-17(22-15-16)20(26-27(6,7)8)11-13-23(5)14-12-20/h9-10,15H,11-14H2,1-8H3
InChIKeyWSYRGKVECOCXND-UHFFFAOYSA-N
XLogP3.15
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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)-2-pyridinyl]piperidin-4-yl]oxysilane?
The IUPAC name of trimethyl-[1-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidin-4-yl]oxysilane (CID 140675459) is trimethyl-[1-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]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)-2-pyridinyl]piperidin-4-yl]oxysilane?
The canonical SMILES for trimethyl-[1-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidin-4-yl]oxysilane is CN1CCC(O[Si](C)(C)C)(c2ccc(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)-2-pyridinyl]piperidin-4-yl]oxysilane?
The InChIKey is WSYRGKVECOCXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35BN2O3Si/c1-18(2)19(3,4)25-21(24-18)16-9-10-17(22-15-16)20(26-27(6,7)8)11-13-23(5)14-12-20/h9-10,15H,11-14H2,1-8H3.
What are the key properties of trimethyl-[1-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidin-4-yl]oxysilane?
trimethyl-[1-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidin-4-yl]oxysilane has a molecular weight of 390.41 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 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)-2-pyridinyl]piperidin-4-yl]oxysilane is sourced from PubChem (CID 140675459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).