4-Cyanopiperidine

C₆H₁₀N₂CAS 4395-98-6110.16 g/mol

Open in Covalent MOL file

Nitrile Secondary amine

Properties

Molecular formula: C₆H₁₀N₂
Molar mass: 110.16 g/mol
Exact mass: 110.0844 Da
logP: 0.51Crippen estimate
Polar surface area: 35.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed93.9% of notifiers
H311 Toxic in contact with skin16.3% of notifiers
H315 Causes skin irritation16.3% of notifiers
H318 Causes serious eye damage77.6% of notifiers
H319 Causes serious eye irritation16.3% of notifiers
H332 Harmful if inhaled14.3% of notifiers
H335 May cause respiratory irritation12.2% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

4395-98-6

SMILES

C1CNCCC1C#N

InChIKey

FSDNTQSJGHSJBG-UHFFFAOYSA-N

InChI

InChI=1S/C6H10N2/c7-5-6-1-3-8-4-2-6/h6,8H,1-4H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 4-Cyanopiperidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Piperidinecarbonitrile hydrochloride240401-22-3Salt

Similar compounds

Cyclopropyl cyanide5500-21-061 % similar Cyclopentanecarbonitrile4254-02-855 % similar Cyclobutanecarbonitrile4426-11-355 % similar Cyclohexanecarbonitrile766-05-252 % similar Tetrahydro-2H-pyran-4-carbonitrile4295-99-248 % similar Azetidine-3-carbonitrile hydrochloride345954-83-846 % similar 4-Oxocyclohexane-1-carbonitrile34916-10-442 % similar 1,3,6-Hexanetricarbonitrile1772-25-441 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3,5-Trimethylpyrazole1072-91-9 1-Isopropyl-1H-pyrazole18952-87-9 N-Ethyl-2-methylimidazole21202-52-8 Pyrrolidine-1-acetonitrile29134-29-0 1-Propylimidazole35203-44-2 2-Isopropylimidazole36947-68-9 1-(1-Methylethyl)-1H-imidazole4532-96-1 2-Ethyl-4-methylimidazole46227-74-1

Elsewhere

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