4-Chloro-1-methylpiperidine - CAS 5570-77-4

Catalog:	BB029145
Product Name:	4-Chloro-1-methylpiperidine
CAS:	5570-77-4
Synonyms:	4-chloro-1-methylpiperidine; 4-chloro-1-methylpiperidine

Technical Data

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Computed Properties

IUPAC Name:	4-chloro-1-methylpiperidine
Description:	4-Chloro-1-methylpiperidine (CAS# 5570-77-4) is a reactant in the synthesis of indole and benzimidazole piperazines as histamine H4 receptor antagonist.
Molecular Weight:	133.62
Molecular Formula:	C6H12ClN
Canonical SMILES:	CN1CCC(CC1)Cl
InChI:	InChI=1S/C6H12ClN/c1-8-4-2-6(7)3-5-8/h6H,2-5H2,1H3
InChI Key:	MYGXGCCFTPKWIH-UHFFFAOYSA-N
Boiling Point:	165.7 °C at 760 mmHg
Density:	1.04 g/cm³
MDL:	MFCD00044489
LogP:	1.25730

Publication Number	Title	Priority Date
CN-113135893-A	Benzocycloheptapyridine compounds, process for their preparation and their use	20210621
CN-113135899-A	Benzocycloheptapyridine compounds, process for their preparation and their use	20210621
CN-112898268-A	Preparation method of desloratadine impurity	20210407
CN-112552230-A	Synthetic method of cyproheptadine hydrochloride	20201211
CN-112341433-A	Preparation method of loratadine	20201116

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Related Functional Groups

Piperidines

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(3S,4R)-1-tert-Butyl 3-methyl 4-aminopiperidine-1,3-dicarboxylate
[821768-09-6]
1-(3-(Trifluoromethyl)pyridin-2-yl)piperidine-4-carboxylic acid
[1624301-71-8]
tert-Butyl 3,3-bis(hydroxymethyl)piperidine-1-carboxylate
[2355617-42-2]
3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)cyclobutane-1-carboxylic acid

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GHS Hazard Statement:	H226 (88.52%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P264, P273, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	66.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	133.0658271
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	133.0658271
Rotatable Bond Count:	0
Topological Polar Surface Area:	3.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4