3-Bromo-1-methyl-2-piperidone - CAS 49785-85-5

Catalog:	BB026823
Product Name:	3-Bromo-1-methyl-2-piperidone
CAS:	49785-85-5
Synonyms:	3-bromo-1-methyl-2-piperidinone; 3-bromo-1-methylpiperidin-2-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-bromo-1-methylpiperidin-2-one
Description:	3-Bromo-1-methyl-2-piperidone (CAS# 49785-85-5) is a useful research chemical.
Molecular Weight:	192.05
Molecular Formula:	C6H10BrNO
Canonical SMILES:	CN1CCCC(C1=O)Br
InChI:	InChI=1S/C6H10BrNO/c1-8-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3
InChI Key:	BCDLQVAFWJZKTG-UHFFFAOYSA-N
LogP:	0.94000

Publication Number	Title	Priority Date
WO-2019139714-A1	Pyrazolopyrimidine compounds as jak inhibitors	20180115
CN-111587250-A	Pyrazolopyrimidine compounds as JAK inhibitors	20180115
EP-3740488-A1	Pyrazolopyrimidine compounds as jak inhibitors	20180115
US-2020339604-A1	Pyrazolopyrimidine compounds as jak inhibitors	20180115
JP-2021510693-A	Pyrazolopyrimidine compound as a JAK inhibitor	20180115

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Related Functional Groups

Piperidones

[1454-53-1]
Ethyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride
[1525448-33-2]
1-Boc-2,2-dimethyl-3-piperidinone
[1215071-17-2]
N-Boc-3,3-difluoropiperidin-4-one
[881386-01-2]
3,3-Dichloro-1-(4-nitrophenyl)-2-piperidinone
[37443-73-5]
1-(2-Hydroxyethyl)-4-piperidone ethylene ketal
[1955548-89-6]
1-Boc-3-fluoro-4-piperidinone Hydrate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.99458
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	190.99458
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1