1-Boc-4-(4-Bromophenyl)piperazine - CAS 352437-09-3

Name: 1-Boc-4-(4-Bromophenyl)piperazine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB022554
Product Name:	1-Boc-4-(4-Bromophenyl)piperazine
CAS:	352437-09-3
Synonyms:	4-(4-bromophenyl)-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 4-(4-bromophenyl)piperazine-1-carboxylate

Technical Data

IUPAC Name:	tert-butyl 4-(4-bromophenyl)piperazine-1-carboxylate
Description:	1-Boc-4-(4-Bromophenyl)piperazine (CAS# 352437-09-3) is a reagent used in the synthesis of dual Bcl-2/Bcl-xL inhibitors.
Molecular Weight:	341.24
Molecular Formula:	C15H21BrN2O2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)Br
InChI:	InChI=1S/C15H21BrN2O2/c1-15(2,3)20-14(19)18-10-8-17(9-11-18)13-6-4-12(16)5-7-13/h4-7H,8-11H2,1-3H3
InChI Key:	QKIPWYSRBGTXRG-UHFFFAOYSA-N
Boiling Point:	424.7 °C at 760 mmHg
Density:	1.332 g/cm³
LogP:	3.50910

Publication Number	Title	Priority Date
EP-3875452-A1	Monoacylglycerol lipase inhibitors	20200304
WO-2021175913-A1	Monoacylglycerol lipase inhibitors	20200304
WO-2021127561-A1	Isoindolinone and indazole compounds for the degradation of egfr	20191220
WO-2020200291-A1	Compounds and methods of treating cancers	20190402
WO-2020132561-A1	Targeted protein degradation	20181220

Complexity:	327
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	340.07864
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	340.07864
Rotatable Bond Count:	3
Topological Polar Surface Area:	32.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4