2-[4-(Boc-amino)-1-piperidinyl]pyridine-5-boronic Acid Pinacol Ester - CAS 1042917-44-1

Catalog:	BB072481
Product Name:	2-[4-(Boc-amino)-1-piperidinyl]pyridine-5-boronic Acid Pinacol Ester
CAS:	1042917-44-1
Synonyms:	tert-Butyl (1-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperidin-4-yl)carbamate; tert-butyl N-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperidin-4-yl]carbamate; Carbamic acid, N-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-4-piperidinyl]-, 1,1-dimethylethyl ester; tert-butyl(1-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperidin-4-yl)carbamate; 2-[4-(Boc-amino)-1-piperidinyl]pyridine-5-boronic acid pinacol ester; 6-(4-(Boc-Amino)piperidin-1-yl)pyridine-3-boronic acid pinacol ester

Technical Data

IUPAC Name:	tert-butyl N-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperidin-4-yl]carbamate
Molecular Weight:	403.32
Molecular Formula:	C21H34BN3O4
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N3CCC(CC3)NC(=O)OC(C)(C)C
InChI:	InChI=1S/C21H34BN3O4/c1-19(2,3)27-18(26)24-16-10-12-25(13-11-16)17-9-8-15(14-23-17)22-28-20(4,5)21(6,7)29-22/h8-9,14,16H,10-13H2,1-7H3,(H,24,26)
InChI Key:	JGRVQSYVAOLRKS-UHFFFAOYSA-N
References:	Andrews, Steven W., et al. PCT Int. Appl., WO 2017011776 A1 20170119 (2017).

Complexity:	569
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	403.2642367
Formal Charge:	0
Heavy Atom Count:	29
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	403.2642367
Rotatable Bond Count:	5
Topological Polar Surface Area:	72.9Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0