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

C11H22BNO2 — CID 99774006

IUPAC(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine
SMILESCC1(C)OB([C@@H]2CCCCN2)OC1(C)C
InChIInChI=1S/C11H22BNO2/c1-10(2)11(3,4)15-12(14-10)9-7-5-6-8-13-9/h9,13H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyVSZMMHJFTSAPAX-VIFPVBQESA-N
MW211.11 g/mol
LogP1.76
Rot. Bonds1

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

(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine (PubChem CID 99774006) has the molecular formula C11H22BNO2 and a molecular weight of 211.11 g/mol. Its IUPAC name is (2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine.

Molecular Properties

Compound Name(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine
PubChem CID99774006
Molecular FormulaC11H22BNO2
Molecular Weight211.11 g/mol
Exact Mass211.17
IUPAC Name(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine
SMILESCC1(C)OB([C@@H]2CCCCN2)OC1(C)C
InChIInChI=1S/C11H22BNO2/c1-10(2)11(3,4)15-12(14-10)9-7-5-6-8-13-9/h9,13H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyVSZMMHJFTSAPAX-VIFPVBQESA-N
XLogP1.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.11
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(1S,2S,6R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidine
CID 58831629
(2S)-2-[(2R,6S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidine
CID 134692393
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine;hydrochloride
CID 53216775
(2R)-2-[(1R,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidine;hydrochloride
CID 154825522
(2R)-2-[(2R,6S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidine;hydrochloride
CID 2769398
(2S)-2-[(1R,2S,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidine;hydrochloride
CID 53482063
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-amine
CID 105482748
4,4,5,5-tetramethyl-2-[(1S,2R)-2-methylcyclopentyl]-1,3,2-dioxaborolane
CID 101198944
2-cyclooct-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90890590
2-piperidin-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 76848408
2-methylpiperidine
CID 7974
CID 137258545
CID 137258545

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine?
The IUPAC name of (2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine (CID 99774006) is (2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine.
What is the SMILES notation for (2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine?
The canonical SMILES for (2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine is CC1(C)OB([C@@H]2CCCCN2)OC1(C)C.
What is the InChIKey of (2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine?
The InChIKey is VSZMMHJFTSAPAX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22BNO2/c1-10(2)11(3,4)15-12(14-10)9-7-5-6-8-13-9/h9,13H,5-8H2,1-4H3/t9-/m0/s1.
What are the key properties of (2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine?
(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine has a molecular weight of 211.11 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine is sourced from PubChem (CID 99774006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).