3-Methyl-4-piperidone Hydrochloride - CAS 4629-78-1

Catalog:	BB026111
Product Name:	3-Methyl-4-piperidone Hydrochloride
CAS:	4629-78-1
Synonyms:	3-methyl-4-piperidinone;hydrochloride; 3-methylpiperidin-4-one;hydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-methylpiperidin-4-one;hydrochloride
Description:	3-Methyl-4-piperidone Hydrochloride (CAS# 4629-78-1) is a useful research chemical.
Molecular Weight:	149.62
Molecular Formula:	C6H12ClNO
Canonical SMILES:	CC1CNCCC1=O.Cl
InChI:	InChI=1S/C6H11NO.ClH/c1-5-4-7-3-2-6(5)8;/h5,7H,2-4H2,1H3;1H
InChI Key:	GCQBLKABRBKHLY-UHFFFAOYSA-N
Boiling Point:	224.6 °C at 760 mmHg
MDL:	MFCD07369967
LogP:	1.31570

Publication Number	Title	Priority Date
CN-113248491-A	Substituted indole urea derivatives, synthesis method and application thereof	20200211
EP-3782997-A1	Fused pyrimidine compounds and pharmaceutical compositions thereof for the treatment of fibrotic diseases	20190819
TW-201941775-A	GCN2 inhibitor and its use	20180129
JP-2021512079-A	GCN2 inhibitor and its use	20180129
CA-2926223-A1	Cyclic thienouracil-carboxamides and use thereof	20131007

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Related Functional Groups

Piperidones

[3731-16-6]
Ethyl 2-oxo-3-piperidinecarboxylate
[1525448-33-2]
1-Boc-2,2-dimethyl-3-piperidinone
[117565-57-8]
1-Boc-3-ethyl-4-piperidinone
[188975-88-4]
N-Boc-hexahydro-1H-azepin-4-one
[2092486-33-2]
tert-Butyl (S)-3-methyl-4-oxopiperidine-1-carboxylate
[1601475-89-1]
tert-Butyl (S)-3-methyl-5-oxopiperidine-1-carboxylate

GHS Hazard Statement:	H302 (33.33%): 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:	101
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	149.0607417
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	149.0607417
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0