Piperidine-4-carbonitrile - CAS 4395-98-6

Catalog:	BB025503
Product Name:	Piperidine-4-carbonitrile
CAS:	4395-98-6
Synonyms:	piperidine-4-carbonitrile

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Computed Properties

IUPAC Name:	piperidine-4-carbonitrile
Description:	Piperidine-4-carbonitrile (CAS# 4395-98-6) is a compound useful in organic synthesis.
Molecular Weight:	110.16
Molecular Formula:	C6H10N2
Canonical SMILES:	C1CNCCC1C#N
InChI:	InChI=1S/C6H10N2/c7-5-6-1-3-8-4-2-6/h6,8H,1-4H2
InChI Key:	FSDNTQSJGHSJBG-UHFFFAOYSA-N
Boiling Point:	0 °C
Melting Point:	0 °C
Purity:	> 98 %
Density:	0.98 g/cm³
Appearance:	Yellowish-orangish oil
MDL:	MFCD05022468
LogP:	0.83838

Publication Number	Title	Priority Date
CN-111592479-A	Aloe-emodin nitrogen heterocyclic derivative and preparation method and application thereof	20200529
CN-111592479-B	Aloe-emodin nitrogen heterocyclic derivative and preparation method and application thereof	20200529
WO-2021202964-A1	Allosteric chromenone inhibitors of phosphoinositide 3-kinase (pi3k) for the treatment of diseases associated with p13k modulation	20200403
WO-2021203016-A2	Protein-protein interaction stabilizers	20200403
WO-2021194326-A1	Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators	20200327

PMID	Publication Date	Title	Journal
21843937	20111001	Synthesis and biological evaluation of 4-piperidinecarboxylate and 4-piperidinecyanide derivatives for T-type calcium channel blockers	Bioorganic & medicinal chemistry letters

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Related Functional Groups

Piperidines

[13617-02-2]
3-Bromo-1-methylpiperidine Hydrobromide
[874800-64-3]
1-(4-Chloro-2-nitrophenyl)piperidine-4-carboxylic acid
[758720-54-6]
1-(3-Nitropyridin-2-yl)piperidine-4-carboxylic acid
[2355617-42-2]
3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)cyclobutane-1-carboxylic acid
[313685-03-9]
Ethyl 1-[(4-chlorophenyl)sulfonyl]piperidine-4-carboxylate
[1185108-00-2]
Ethyl 1-[(4-fluorophenyl)methyl]piperidine-3-carboxylate hydrochloride

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GHS Hazard Statement:	H302 (93.88%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	105
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	110.084398327
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	110.084398327
Rotatable Bond Count:	0
Topological Polar Surface Area:	35.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0