N-Methyl-4-piperidone - CAS 1445-73-4

Catalog:	BB009793
Product Name:	N-Methyl-4-piperidone
CAS:	1445-73-4
Synonyms:	1-methylpiperidin-4-one

Technical Data

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Computed Properties

QC Data

IUPAC Name:	1-methylpiperidin-4-one
Description:	N-Methyl-4-piperidone (CAS# 1445-73-4) is a compound useful in organic synthesis.
Molecular Weight:	113.16
Molecular Formula:	C6H11NO
Canonical SMILES:	CN1CCC(=O)CC1
InChI:	InChI=1S/C6H11NO/c1-7-4-2-6(8)3-5-7/h2-5H2,1H3
InChI Key:	HUUPVABNAQUEJW-UHFFFAOYSA-N
Boiling Point:	55-58 °C (10 mmHg)
Purity:	98 %
Density:	0.98 g/cm³
Appearance:	Clear yellow to orange liquid
MDL:	MFCD00006191
LogP:	0.21900

Publication Number	Title	Priority Date
CN-113471497-A	Piperidine anion exchange membrane and preparation method thereof	20210712
CN-113336695-A	Preparation method and application of 4- (4-fluorobenzylamino) -1-methylpiperidine	20210624
CN-113292484-A	3- (4-methylpiperidine-1-yl) -3-benzylurea compound and analogue, preparation method and application thereof	20210604
CN-113354621-A	Pyridine group-containing 1-substituted benzyl-3-aryl urea compound and preparation method and application thereof	20210604
CN-113372596-A	Alkaline anion exchange membrane based on chemical crosslinking and preparation method thereof	20210528

PMID	Publication Date	Title	Journal
21671581	20110901	N-Methyl inversion and structure of six-membered heterocyclic rings: rotational spectrum of 1-methyl-4-piperidone	The journal of physical chemistry. A
21754057	20110401	3,5-Bis(4-chloro-benzyl-idene)-1-methyl-piperidin-4-one	Acta crystallographica. Section E, Structure reports online
21186794	20110127	α,β-Unsaturated carbonyl system of chalcone-based derivatives is responsible for broad inhibition of proteasomal activity and preferential killing of human papilloma virus (HPV) positive cervical cancer cells	Journal of medicinal chemistry
21579402	20100512	1-[2,4,6-Trimethyl-3,5-bis-(4-oxopiperidin-1-ylmeth-yl)benz-yl]piperidin-4-one	Acta crystallographica. Section E, Structure reports online
19524332	20090901	A facile synthesis and antimycobacterial evaluation of novel spiro-pyrido-pyrrolizines and pyrrolidines	European journal of medicinal chemistry

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	90.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	113.084063974
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	113.084063974
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3