4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine;hydrochloride

C11H23BClNO2 — CID 53216775

IUPAC4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine;hydrochloride
SMILESCC1(C)OB(C2CCNCC2)OC1(C)C.Cl
InChIInChI=1S/C11H22BNO2.ClH/c1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9;/h9,13H,5-8H2,1-4H3;1H
InChIKeyDJEBJGUAIJWKGA-UHFFFAOYSA-N
MW247.57 g/mol
LogP2.25
Rot. Bonds1

About 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine;hydrochloride

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine;hydrochloride (PubChem CID 53216775) has the molecular formula C11H23BClNO2 and a molecular weight of 247.57 g/mol. Its IUPAC name is 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine;hydrochloride
PubChem CID53216775
Molecular FormulaC11H23BClNO2
Molecular Weight247.57 g/mol
Exact Mass247.15
IUPAC Name4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine;hydrochloride
SMILESCC1(C)OB(C2CCNCC2)OC1(C)C.Cl
InChIInChI=1S/C11H22BNO2.ClH/c1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9;/h9,13H,5-8H2,1-4H3;1H
InChIKeyDJEBJGUAIJWKGA-UHFFFAOYSA-N
XLogP2.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.57
LogP ≤ 52.25
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)piperidine;hydrochloride?
The IUPAC name of 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine;hydrochloride (CID 53216775) is 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine;hydrochloride.
What is the SMILES notation for 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine;hydrochloride?
The canonical SMILES for 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine;hydrochloride is CC1(C)OB(C2CCNCC2)OC1(C)C.Cl.
What is the InChIKey of 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine;hydrochloride?
The InChIKey is DJEBJGUAIJWKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BNO2.ClH/c1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9;/h9,13H,5-8H2,1-4H3;1H.
What are the key properties of 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine;hydrochloride?
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine;hydrochloride has a molecular weight of 247.57 g/mol, XLogP of 2.25, 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)piperidine;hydrochloride is sourced from PubChem (CID 53216775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).