4-Piperidinecarbonitrile hydrochloride

C₆H₁₁ClN₂CAS 240401-22-3146.62 g/mol

Open in Covalent MOL file

Nitrile Secondary amine

Properties

Molecular formula: C₆H₁₁ClN₂
Molar mass: 146.62 g/mol
Exact mass: 146.0611 Da
logP: 0.93Crippen estimate
Polar surface area: 35.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed25% of notifiers
H302 Harmful if swallowed75% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation50% of notifiers
H331 Toxic if inhaled25% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

240401-22-3

SMILES

C1CNCCC1C#N.Cl

InChIKey

PKMPMUHWHIIFBJ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

4-Cyanopiperidine hcl

Work with 4-Piperidinecarbonitrile hydrochloride

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-Cyanopiperidine4395-98-6Free base

Similar compounds

Azetidine-3-carbonitrile hydrochloride345954-83-858 % similar Cyclopropyl cyanide5500-21-052 % similar Cyclopentanecarbonitrile4254-02-848 % similar Cyclobutanecarbonitrile4426-11-348 % similar 4,4′-Dipiperidine dihydrochloride78619-84-848 % similar Cyclohexanecarbonitrile766-05-246 % similar (2S)-Pyrrolidine-2-carbonitrile hydrochloride65732-69-645 % similar 4-Aminopiperidine dihydrochloride35621-01-342 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Ethyl-3-methylimidazolium chloride65039-09-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook