6,6-dimethyl-1-(propan-2-yl)piperazin-2-one - CAS 400756-19-6

Catalog:	BB024291
Product Name:	6,6-dimethyl-1-(propan-2-yl)piperazin-2-one
CAS:	400756-19-6
Synonyms:	6,6-dimethyl-1-propan-2-yl-2-piperazinone; 6,6-dimethyl-1-propan-2-ylpiperazin-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	6,6-dimethyl-1-propan-2-ylpiperazin-2-one
Description:	6,6-dimethyl-1-(propan-2-yl)piperazin-2-one (CAS# 400756-19-6) is a useful research chemical.
Molecular Weight:	170.256
Molecular Formula:	C9H18N2O
Canonical SMILES:	CC(C)N1C(=O)CNCC1(C)C
InChI:	InChI=1S/C9H18N2O/c1-7(2)11-8(12)5-10-6-9(11,3)4/h7,10H,5-6H2,1-4H3
InChI Key:	LNUPKYZXVGHSNU-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2017109088-A1	Pyrimidone derivatives and their use in the treatment, amelioration or prevention of a viral disease	20151223
CA-2968464-A1	Substituted pyridobenzodiazepinone-derivatives and use thereof	20141125
EP-3223821-A1	Substituted pyridobenzodiazepinone-derivatives and use thereof	20141125
JP-2017535573-A	Substituted pyridobenzodiazepinone derivatives and uses thereof	20141125
US-10047096-B2	Substituted pyridobenzodiazepinone-derivatives and use thereof	20141125

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Complexity:	187
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.141913202
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	170.141913202
Rotatable Bond Count:	1
Topological Polar Surface Area:	32.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5