chempirical

4-Cyanopiperidine

C6H10N2CAS 4395-98-6110.16 g/mol

Open in Covalent MOL file
NHN
NitrileSecondary 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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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 1-Pyrrolidineacetonitrile29134-29-0 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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