1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine Hydrochloride - CAS 2379560-96-8

Catalog:	BB074120
Product Name:	1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine Hydrochloride
CAS:	2379560-96-8
Synonyms:	1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine hydrochloride; 1-Methyl-piperidine-4-boronic acid pinacol ester hydrochloride; 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine; hydrochloride; N-Methylpiperidine-4-boronic acid pinacol ester hydrochloride

Technical Data

IUPAC Name:	1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidinehydrochloride
Description:	1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine is used as a reactant in the preparation of pyridopyrimidine derivatives and related compounds useful in the treatment of spinal muscular atrophy.
Molecular Weight:	225.14 + 36.46
Molecular Formula:	C12H24BNO2·HCl
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2CCN(CC2)C.Cl
InChI:	InChI=1S/C12H24BNO2.ClH/c1-11(2)12(3,4)16-13(15-11)10-6-8-14(5)9-7-10/h10H,6-9H2,1-5H31H
InChI Key:	ASDRZQBXMYAQJZ-UHFFFAOYSA-N
References:	Qi, H., et al. PCT Int. Appl. (2013), WO 2013119916 A2 20130815.

Complexity:	244
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	261.1666869
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	261.1666869
Rotatable Bond Count:	1
Topological Polar Surface Area:	21.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0