1-(2-Methylphenyl)piperidin-4-one - CAS 218610-72-1

Catalog:	BB017177
Product Name:	1-(2-Methylphenyl)piperidin-4-one
CAS:	218610-72-1
Synonyms:	1-(2-methylphenyl)piperidin-4-one

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(2-methylphenyl)piperidin-4-one
Description:	1-(2-Methylphenyl)piperidin-4-one (CAS# 218610-72-1) is a useful research chemical.
Molecular Weight:	189.25
Molecular Formula:	C12H15NO
Canonical SMILES:	CC1=CC=CC=C1N2CCC(=O)CC2
InChI:	InChI=1S/C12H15NO/c1-10-4-2-3-5-12(10)13-8-6-11(14)7-9-13/h2-5H,6-9H2,1H3
InChI Key:	UNCRRVZLEDFGBN-UHFFFAOYSA-N
Boiling Point:	325.9 °C at 760 mmHg
Density:	1.084 g/cm³
LogP:	2.22930

Publication Number	Title	Priority Date
WO-2019238067-A1	Pyrrolo [2, 3-b] pyridines or pyrrolo [2, 3-b] pyrazines as hpk1 inhibitor and the use thereof	20180613
TW-202016109-A	Pyrrolo[2,3-B]pyridine or pyrrolo[2,3-B]pyrazine as an HPK1 inhibitor and uses thereof	20180613
CN-112243439-A	Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof	20180613
JP-WO2019022223-A1	Cyclic amine derivative and its pharmaceutical use	20170728
TW-201910312-A	Cyclic amine derivatives and their medical uses	20170728

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Complexity:	204
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.115364102
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	189.115364102
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3