1-Benzyl-3-piperidinone - CAS 40114-49-6

Catalog:	BB024315
Product Name:	1-Benzyl-3-piperidinone
CAS:	40114-49-6
Synonyms:	1-(phenylmethyl)-3-piperidinone; 1-benzylpiperidin-3-one

Technical Data

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Computed Properties

IUPAC Name:	1-benzylpiperidin-3-one
Description:	1-Benzyl-3-piperidinone (CAS# 40114-49-6) is a useful research chemical.
Molecular Weight:	189.25
Molecular Formula:	C12H15NO
Canonical SMILES:	C1CC(=O)CN(C1)CC2=CC=CC=C2
InChI:	InChI=1S/C12H15NO/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2
InChI Key:	BBQQULRBTOMLTC-UHFFFAOYSA-N
Boiling Point:	295 °C
Density:	1.098 g/cm³
MDL:	MFCD00012791
LogP:	1.78940

Publication Number	Title	Priority Date
US-2021078996-A1	Hpk1 antagonists and uses thereof	20190913
US-2021078997-A1	SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS	20190913
US-2021078998-A1	SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS	20190913
US-2021087189-A1	SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS	20190913
US-2021087190-A1	SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS	20190913

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Related Functional Groups

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	197
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:	2
Topological Polar Surface Area:	20.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7