1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine

C15H24BN3O2 — CID 46737992

IUPAC1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine
SMILESCC1(C)OB(c2cccnc2N2CCNCC2)OC1(C)C
InChIInChI=1S/C15H24BN3O2/c1-14(2)15(3,4)21-16(20-14)12-6-5-7-18-13(12)19-10-8-17-9-11-19/h5-7,17H,8-11H2,1-4H3
InChIKeyHQTJTIJSMLAMPK-UHFFFAOYSA-N
MW289.19 g/mol
LogP0.79
Rot. Bonds2

About 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine

1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine (PubChem CID 46737992) has the molecular formula C15H24BN3O2 and a molecular weight of 289.19 g/mol. Its IUPAC name is 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine
PubChem CID46737992
Molecular FormulaC15H24BN3O2
Molecular Weight289.19 g/mol
Exact Mass289.20
IUPAC Name1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine
SMILESCC1(C)OB(c2cccnc2N2CCNCC2)OC1(C)C
InChIInChI=1S/C15H24BN3O2/c1-14(2)15(3,4)21-16(20-14)12-6-5-7-18-13(12)19-10-8-17-9-11-19/h5-7,17H,8-11H2,1-4H3
InChIKeyHQTJTIJSMLAMPK-UHFFFAOYSA-N
XLogP0.79
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
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 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine (CID 46737992) is 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine is CC1(C)OB(c2cccnc2N2CCNCC2)OC1(C)C.
What is the InChIKey of 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine?
The InChIKey is HQTJTIJSMLAMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BN3O2/c1-14(2)15(3,4)21-16(20-14)12-6-5-7-18-13(12)19-10-8-17-9-11-19/h5-7,17H,8-11H2,1-4H3.
What are the key properties of 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine?
1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine has a molecular weight of 289.19 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine is sourced from PubChem (CID 46737992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).