5-(Hydroxymethyl)-2-piperidinone - CAS 146059-77-0

Catalog:	BB010034
Product Name:	5-(Hydroxymethyl)-2-piperidinone
CAS:	146059-77-0
Synonyms:	5-(hydroxymethyl)-2-piperidinone; 5-(hydroxymethyl)piperidin-2-one

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Computed Properties

IUPAC Name:	5-(hydroxymethyl)piperidin-2-one
Description:	5-(Hydroxymethyl)-2-piperidinone (CAS# 146059-77-0) is a useful research chemical.
Molecular Weight:	129.16
Molecular Formula:	C6H11NO2
Canonical SMILES:	C1CC(=O)NCC1CO
InChI:	InChI=1S/C6H11NO2/c8-4-5-1-2-6(9)7-3-5/h5,8H,1-4H2,(H,7,9)
InChI Key:	ASQVPLMNHXQYMU-UHFFFAOYSA-N
LogP:	-0.21920

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

Complexity:	114
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:	2
Isotope Atom Count:	0
Monoisotopic Mass:	129.078978594
Rotatable Bond Count:	1
Topological Polar Surface Area:	49.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.8