CAS 871125-86-9|1-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine|2-(Piperazin-1-yl)pyridine-5-boronic acid, pinacol ester|1-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]pipe...

General Information

Structure

Molecular Formula

C₁₅H₂₄BN₃O₂

Molecular Mass

289.18096

Exact Mass

289.19615742

Charge

InChI

InChI=1S/C15H24BN3O2/c1-14(2)15(3,4)21-16(20-14)12-5-6-13(18-11-12)19-9-7-17-8-10-19/h5-6,11,17H,7-10H2,1-4H3

InChIKey

MEHCIETYEUUYGC-UHFFFAOYSA-N

Canonic Smiles

CC1(C)OB(OC1(C)C)c1ccc(nc1)N1CCNCC1

Isomeric Smiles

B1(OC(C(O1)(C)C)(C)C)c1cnc(N2CCNCC2)cc1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-0.1079715

LogD (pH = 7.4)

1.6200389

Log P

2.9914

Molar Refractivity

79.0537

Polarizability

32.404297

Polar Surface Area

46.62

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

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

Synonyms

2-(Piperazin-1-yl)pyridine-5-boronic acid, pinacol ester6-(1-Piperazinyl)pyridine-3-boronic acid pinacol ester6-(1-哌嗪基)吡啶-3-硼酸频哪醇酯1-(5-(4,4,5,5-四甲基-1,3,2-二氧硼戊环-2-基)哌啶-2-基]哌嗪1-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine1-(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL)PIPERAZINE

IUPAC name

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

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID