5-Hydroxy-1-methylpiperidin-2-one - CAS 33342-01-7

Catalog:	BB021677
Product Name:	5-Hydroxy-1-methylpiperidin-2-one
CAS:	33342-01-7
Synonyms:	5-hydroxy-1-methyl-2-piperidinone; 5-hydroxy-1-methylpiperidin-2-one

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Computed Properties

IUPAC Name:	5-hydroxy-1-methylpiperidin-2-one
Description:	5-Hydroxy-1-methylpiperidin-2-one (CAS# 33342-01-7) is a useful research chemical.
Molecular Weight:	129.16
Molecular Formula:	C6H11NO2
Canonical SMILES:	CN1CC(CCC1=O)O
InChI:	InChI=1S/C6H11NO2/c1-7-4-5(8)2-3-6(7)9/h5,8H,2-4H2,1H3
InChI Key:	UCSPSEUVPQTOQD-UHFFFAOYSA-N
LogP:	-0.46260

Publication Number	Title	Priority Date
WO-2020260857-A1	Hydroxamate compounds as antagonists of the adenosine a2a receptor	20190613
US-2020108075-A1	8-aminoisoquinoline compounds and uses thereof	20181003
WO-2020072695-A1	8-aminoisoquinoline compounds and uses thereof	20181003
TW-202023558-A	8-aminoisoquinoline compounds and uses thereof	20181003
CN-113166062-A	8-aminoisoquinoline compounds and uses thereof	20181003

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	124
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	129.078978594
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	129.078978594
Rotatable Bond Count:	0
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.8