4-Piperidone hydrochloride

C₅H₁₀ClNOCAS 41979-39-9135.59 g/mol

Open in Covalent MOL file

Ketone Secondary amine

Properties

Molecular formula: C₅H₁₀ClNO
Molar mass: 135.59 g/mol
Exact mass: 135.0451 Da
Melting point: 145.5–147 °C
logP: 0.36Crippen estimate
Polar surface area: 29.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

41979-39-9

SMILES

Cl.O=C1CCNCC1

InChIKey

GJQNVZVOTKFLIU-UHFFFAOYSA-N

InChI

InChI=1S/C5H9NO.ClH/c7-5-1-3-6-4-2-5;/h6H,1-4H2;1H

Weigh it out

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

Names and synonyms

3 names

4-Piperidinone, hydrochloride (1:1)
4-Piperidinone, hydrochloride
4-Oxopiperidine hydrochloride

Work with 4-Piperidone 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-Piperidone hydrochloride hydrate320589-77-3Hydrate 4-Piperidinone41661-47-6Free base

Similar compounds

Azepan-4-one hydrochloride50492-22-381 % similar Pyrrolidin-3-one hydrochloride3760-52-971 % similar 3-Pyrrolidinone96-42-457 % similar Azetidin-3-one Hydrochloride17557-84-552 % similar 4-Methylenepiperidine hydrochloride144230-50-248 % similar 2-Methylpiperidin-4-one hydrochloride13729-77-645 % similar Cyclen tetrahydrochloride10045-25-744 % similar Piperazine hydrochloride142-64-344 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Chloro-N-(1-methylethyl)acetamide2895-21-8 (1S,4S)-2-Oxa-5-azabicyclo[2.2.1]heptane hcl31560-06-2 Piperidin-3-one hydrochloride61644-00-6 Diethylcarbamoyl chloride88-10-8

Elsewhere

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