4-Cyano-4-methylpiperidine Hydrochloride - CAS 948894-26-6

Catalog:	BB041579
Product Name:	4-Cyano-4-methylpiperidine Hydrochloride
CAS:	948894-26-6
Synonyms:	4-methyl-4-piperidinecarbonitrile;hydrochloride; 4-methylpiperidine-4-carbonitrile;hydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-methylpiperidine-4-carbonitrile;hydrochloride
Description:	4-Cyano-4-methylpiperidine Hydrochloride (CAS# 948894-26-6) is a useful research chemical.
Molecular Weight:	160.64
Molecular Formula:	C7H13ClN2
Canonical SMILES:	CC1(CCNCC1)C#N.Cl
InChI:	InChI=1S/C7H12N2.ClH/c1-7(6-8)2-4-9-5-3-7;/h9H,2-5H2,1H3;1H
InChI Key:	UWLNGLZSXULFBT-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	2.03048

Publication Number	Title	Priority Date
WO-2020128768-A1	N-(pyridin-2-ylsulfonyl)cyclopropanecarboxamide derivatives and their use in the treatment of a cftr mediated disease	20181218
CN-113226464-A	N- (pyridin-2-ylsulfonyl) cyclopropanecarboxamide derivatives and their use in the treatment of CFTR mediated diseases	20181218
EP-3897832-A1	N-(pyridin-2-ylsulfonyl)cyclopropanecarboxamide derivatives and their use in the treatment of a cftr mediated disease	20181218
TW-201944993-A	CBL-B inhibitor and use method thereof	20180126
WO-2019148005-A1	Inhibitors of cbl-b and methods of use thereof	20180126

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Related Functional Groups

Piperidines

[362489-61-0]
(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
[2091301-46-9]
Tert-butyl 5-hydroxy-3,3-dimethylpiperidine-1-carboxylate
[758720-54-6]
1-(3-Nitropyridin-2-yl)piperidine-4-carboxylic acid
[349625-89-4]
Ethyl 1-(methylsulfonyl)piperidine-3-carboxylate
[625106-78-7]
Ethyl 1-[(3-nitrophenyl)sulfonyl]piperidine-4-carboxylate

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:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.0767261
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	160.0767261
Rotatable Bond Count:	0
Topological Polar Surface Area:	35.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0