3-Methylpiperidin-4-one hydrochloride

C₆H₁₂ClNOCAS 4629-78-1149.62 g/mol

Open in Covalent MOL file

Ketone Secondary amine

Properties

Molecular formula: C₆H₁₂ClNO
Molar mass: 149.62 g/mol
Exact mass: 149.0607 Da
logP: 0.61Crippen 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

4629-78-1

SMILES

CC1CNCCC1=O.Cl

InChIKey

GCQBLKABRBKHLY-UHFFFAOYSA-N

InChI

InChI=1S/C6H11NO.ClH/c1-5-4-7-3-2-6(5)8;/h5,7H,2-4H2,1H3;1H

Weigh it out

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

Names and synonyms

1 names

3-Methyl-piperidin-4-one hydrochloride

Work with 3-Methylpiperidin-4-one 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.

3-Methyl-4-piperidone5773-58-0Free base

Similar compounds

3-Fluoropiperidin-4-one hydrochloride1070896-59-156 % similar Methyl 4-oxopiperidine-3-carboxylate hydrochloride71486-53-851 % similar Ethyl 4-piperidone-3-carboxylate hydrochloride4644-61-549 % similar 2-Methylcyclopentanone1120-72-542 % similar 4-Oxo-piperidine-3-carboxylic acid ethyl ester67848-59-341 % similar 2-Methylcyclohexanone583-60-841 % similar 4-Piperidone hydrochloride41979-39-940 % similar 1,3-Dimethyl-4-piperidone4629-80-540 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methylpiperidin-4-one hydrochloride13729-77-6 2-Cyclopentene-1-methanol, 4-amino-, hydrochloride (1:1), (1S,4R)-168960-19-8 Chloro-N,N-diethylacetamide2315-36-8 4-(2-Chloroethyl)morpholine3240-94-6 Azepan-4-one hydrochloride50492-22-3 4-Aminocyclohexanone hydrochloride675112-40-0 3-Oxa-8-azabicyclo(3.2.1)octane hydrochloride904316-92-3

Elsewhere

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