(E)-1-(4-(4-(2-Methylbut-2-en-1-yl)piperazin-1-yl)phenyl)ethanone - CAS 938071-77-3

Catalog:	BB058928
Product Name:	(E)-1-(4-(4-(2-Methylbut-2-en-1-yl)piperazin-1-yl)phenyl)ethanone
CAS:	938071-77-3
Synonyms:	Cambridge id 5431942; (E)-1-(4-(4-(2-Methylbut-2-en-1-yl)piperazin-1-yl)phenyl)ethanone

Technical Data

IUPAC Name:	1-[4-[4-[(E)-2-methylbut-2-enyl]piperazin-1-yl]phenyl]ethanone
Description:	(E)-1-(4-(4-(2-Methylbut-2-en-1-yl)piperazin-1-yl)phenyl)ethanone is an intermediate in the synthesis of (E)-1-(4-(4-(2-Methylbut-2-en-1-yl)piperazin-1-yl)phenyl)ethanone Hydrochloride (M725995), which is a piperazinyl phenylethanone compound that acts as an inhibitor of traffic between the trans-Golgi network (TGN) and endosomes that depends on the clathrin adaptor complex AP-1. Additionally, Membrane Traffic Inhibitor, A5 has been shown to have little effect against other trafficking pathways involving endosomes and TGN.
Molecular Weight:	272.39
Molecular Formula:	C17H24N2O
Canonical SMILES:	CC=C(C)CN1CCN(CC1)C2=CC=C(C=C2)C(=O)C
InChI:	InChI=1S/C17H24N2O/c1-4-14(2)13-18-9-11-19(12-10-18)17-7-5-16(6-8-17)15(3)20/h4-8H,9-13H2,1-3H3/b14-4+
InChI Key:	SBANNMOEYYSRDA-LNKIKWGQSA-N
References:	Duncan, M. C., et al. Proc. Natl. Acad. Sci. U S A, 104, 6235 (2007).

Complexity:	348
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	272.188863393
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	272.188863393
Rotatable Bond Count:	4
Topological Polar Surface Area:	23.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3