CAS 918524-63-7|CAS 832114-09-7|1-methyl-4-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine|1-methyl-4-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine|2-(4-Methylpiper...

General Information

Structure

Molecular Formula

C₁₆H₂₆BN₃O₂

Molecular Mass

303.20754

Exact Mass

303.21180749

Charge

InChI

InChI=1S/C16H26BN3O2/c1-15(2)16(3,4)22-17(21-15)13-6-7-14(18-12-13)20-10-8-19(5)9-11-20/h6-7,12H,8-11H2,1-5H3

InChIKey

KVQXFNGVIIPCSX-UHFFFAOYSA-N

Canonic Smiles

CN1CCN(CC1)c1ccc(cn1)B1OC(C(O1)(C)C)(C)C

Isomeric Smiles

n1cc(ccc1N1CCN(CC1)C)B1OC(C)(C)C(O1)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.421104

LogD (pH = 7.4)

3.0418236

Log P

3.3528

Molar Refractivity

84.3484

Polarizability

34.24668

Polar Surface Area

37.83

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

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

IUPAC name

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

Synonyms

2-(4-Methylpiperazin-1-yl)pyridine-5-boronic acid, pinacol ester2-(4-METHYLPIPERAZIN-1-YL)PYRIDINE-5-BORONIC ACID PINACOL ESTER2-(4-Methylpiperazin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine1-Methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine6-(4-Methylpiperazin-1-yl)pyridine-3-boronic acid, pinacol ester

Names and Identifiers

Registration numbers

CAS Number

918524-63-7832114-09-7

PubChem CID

2769618

PubChem SID

162042815

MDL Number

MFCD07437995

Registration numbers

Properties