1-(4-Fluoro-2-methylphenyl)piperidin-4-one - CAS 938458-77-6

Catalog:	BB041098
Product Name:	1-(4-Fluoro-2-methylphenyl)piperidin-4-one
CAS:	938458-77-6
Synonyms:	1-(4-fluoro-2-methylphenyl)piperidin-4-one

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(4-fluoro-2-methylphenyl)piperidin-4-one
Description:	1-(4-Fluoro-2-methylphenyl)piperidin-4-one (CAS# 938458-77-6) is a useful research chemical.
Molecular Weight:	207.24
Molecular Formula:	C12H14FNO
Canonical SMILES:	CC1=C(C=CC(=C1)F)N2CCC(=O)CC2
InChI:	InChI=1S/C12H14FNO/c1-9-8-10(13)2-3-12(9)14-6-4-11(15)5-7-14/h2-3,8H,4-7H2,1H3
InChI Key:	ILMQOZJYZVXWJK-UHFFFAOYSA-N
Boiling Point:	342 °C at 760 mmHg
Density:	1.159 g/cm³
LogP:	2.36840

Publication Number	Title	Priority Date
WO-2019154949-A1	Fused thiophene derivatives and their uses	20180208
EP-3749658-A1	Fused thiophene derivatives and their uses	20180208
US-2020369682-A1	Fused thiophene derivatives and their uses	20180208
BR-PI0808657-A2	PHARMACEUTICAL COMPOSITIONS	20070124
EP-1940783-A1	Process for preparing n, n-substituted carbamoyl halides	20051028

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Complexity:	234
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.105942232
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	207.105942232
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2