N-Acetyl-4-piperidone - CAS 32161-06-1

Catalog:	BB021208
Product Name:	N-Acetyl-4-piperidone
CAS:	32161-06-1
Synonyms:	1-acetylpiperidin-4-one

Technical Data

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Computed Properties

IUPAC Name:	1-acetylpiperidin-4-one
Description:	1-Acetyl-4-piperidone (CAS# 32161-06-1) is a useful research chemical.
Molecular Weight:	141.17
Molecular Formula:	C7H11NO2
Canonical SMILES:	CC(=O)N1CCC(=O)CC1
InChI:	InChI=1S/C7H11NO2/c1-6(9)8-4-2-7(10)3-5-8/h2-5H2,1H3
InChI Key:	NNFOVLFUGLWWCL-UHFFFAOYSA-N
Boiling Point:	218 °C
Purity:	97+ %
Density:	1.146 g/cm³
Appearance:	Clear orange oily liquid
LogP:	0.13570

Publication Number	Title	Priority Date
WO-2021139817-A1	Polycyclic compound acting as kinase inhibitor	20200110
US-2021139517-A1	Bicyclic heteroaryl compounds and uses thereof	20191108
WO-2021092115-A1	Bicyclic heteroaryl compounds and uses thereof	20191108
CN-112645946-A	Substituted tricyclic compound as PRMT5 inhibitor and application thereof	20191012
WO-2021068953-A1	Substituted tricyclic compound as prmt5 inhibitor and use thereof	20191012

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Related Functional Groups

Piperidones

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[1303968-37-7]
2,2-Dimethyl-4-piperidone Hydrochloride
[117565-57-8]
1-Boc-3-ethyl-4-piperidinone
[2353568-84-8]
(S)-1-benzyl-3-methylpiperidin-4-one
[87922-76-7]
5-(3-Chlorophenyl)-2-piperidone

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	141.078978594
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	141.078978594
Rotatable Bond Count:	0
Topological Polar Surface Area:	37.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.8