4-Hydroxy-3-(hydroxymethyl)piperidine - CAS 682331-21-1

Catalog:	BB033498
Product Name:	4-Hydroxy-3-(hydroxymethyl)piperidine
CAS:	682331-21-1
Synonyms:	3-(hydroxymethyl)-4-piperidinol; 3-(hydroxymethyl)piperidin-4-ol

Technical Data

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Computed Properties

IUPAC Name:	3-(hydroxymethyl)piperidin-4-ol
Description:	4-Hydroxy-3-(hydroxymethyl)piperidine (CAS# 682331-21-1) is a useful research chemical.
Molecular Weight:	131.17
Molecular Formula:	C6H13NO2
Canonical SMILES:	C1CNCC(C1O)CO
InChI:	InChI=1S/C6H13NO2/c8-4-5-3-7-2-1-6(5)9/h5-9H,1-4H2
InChI Key:	FQOGWNRPPJMSEC-UHFFFAOYSA-N
LogP:	-0.72210

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:	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:	87.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	131.094628657
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	131.094628657
Rotatable Bond Count:	1
Topological Polar Surface Area:	52.5
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.6