4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine

C11H20BNO2 — CID 21105461

IUPAC4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine
SMILESCC1(C)OB(C2=CCNCC2)OC1(C)C
InChIInChI=1S/C11H20BNO2/c1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9/h5,13H,6-8H2,1-4H3
InChIKeyAIPUNCFCQBDNDJ-UHFFFAOYSA-N
MW209.10 g/mol
LogP1.54
Rot. Bonds1

About 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 21105461) has the molecular formula C11H20BNO2 and a molecular weight of 209.10 g/mol. Its IUPAC name is 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine
PubChem CID21105461
Molecular FormulaC11H20BNO2
Molecular Weight209.10 g/mol
Exact Mass209.16
IUPAC Name4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine
SMILESCC1(C)OB(C2=CCNCC2)OC1(C)C
InChIInChI=1S/C11H20BNO2/c1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9/h5,13H,6-8H2,1-4H3
InChIKeyAIPUNCFCQBDNDJ-UHFFFAOYSA-N
XLogP1.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.10
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine (CID 21105461) is 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine is CC1(C)OB(C2=CCNCC2)OC1(C)C.
What is the InChIKey of 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is AIPUNCFCQBDNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BNO2/c1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9/h5,13H,6-8H2,1-4H3.
What are the key properties of 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine?
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 209.10 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 21105461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).