1-[cis-3,5-dimethylpiperazin-1-yl]ethan-1-one - CAS 191543-36-9

Catalog:	BB014818
Product Name:	1-[cis-3,5-dimethylpiperazin-1-yl]ethan-1-one
CAS:	191543-36-9
Synonyms:	1-[(3R,5S)-3,5-dimethyl-1-piperazinyl]ethanone; 1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]ethanone

Technical Data

Patents

Computed Properties

IUPAC Name:	1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]ethanone
Description:	1-[cis-3,5-dimethylpiperazin-1-yl]ethan-1-one (CAS# 191543-36-9 ) is a useful research chemical.
Molecular Weight:	156.229
Molecular Formula:	C8H16N2O
Canonical SMILES:	CC1CN(CC(N1)C)C(=O)C
InChI:	InChI=1S/C8H16N2O/c1-6-4-10(8(3)11)5-7(2)9-6/h6-7,9H,4-5H2,1-3H3/t6-,7+
InChI Key:	QQAIMPFDNDFHDR-KNVOCYPGSA-N
LogP:	0.00000

Publication Number	Title	Priority Date
WO-2020132004-A1	Bet inhibitors for modulating dux4 expression in fshd	20181220
CA-2956421-A1	[1,2,4]triazolo[4,3-b]pyridazines for use in the treatment of proliferative diseases	20140728
DK-3174881-T3	[1,2,4] TRIAZOLO [4,3-B] PYRIDAZINES FOR USING THE TREATMENT OF PROLIFERATIVE DISEASES	20140728
EP-3174881-A1	[1,2,4]triazolo[4,3-b]pyridazines for use in the treatment of proliferative diseases	20140728
EP-3174881-B1	[1,2,4]triazolo[4,3-b]pyridazines for use in the treatment of proliferative diseases	20140728

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Complexity:	148
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	156.126263138
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	156.126263138
Rotatable Bond Count:	0
Topological Polar Surface Area:	32.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1