3-Methyl-4-piperidone

C₆H₁₁NOCAS 5773-58-0113.16 g/mol

Open in Covalent MOL file

Ketone Secondary amine

Properties

Molecular formula: C₆H₁₁NO
Molar mass: 113.16 g/mol
Exact mass: 113.0841 Da
logP: 0.18Crippen estimate
Polar surface area: 29.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

5773-58-0

SMILES

CC1CNCCC1=O

InChIKey

KTWRIXHINMYODR-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

3-Methylpiperidin-4-one

Work with 3-Methyl-4-piperidone

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-Methylpiperidin-4-one hydrochloride4629-78-1Salt

Similar compounds

3-Fluoropiperidin-4-one hydrochloride1070896-59-147 % similar 2-Methylcyclopentanone1120-72-546 % similar 2-Methylcyclohexanone583-60-845 % similar 4-Oxo-piperidine-3-carboxylic acid ethyl ester67848-59-344 % similar 1,3-Dimethyl-4-piperidone4629-80-544 % similar Methyl 4-oxopiperidine-3-carboxylate hydrochloride71486-53-843 % similar Ethyl 4-piperidone-3-carboxylate hydrochloride4644-61-541 % similar 2-Methyl-1,3-cyclopentanedione765-69-537 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Cyclohexanone oxime100-64-1 Caprolactam105-60-2 (1S,4R)-4-Amino-2-cyclopentene-1-methanol136522-35-5 1-Methyl-4-piperidone1445-73-4 2,2-Dimethylcyclopropanecarboxamide1759-55-3 2,4,4-Trimethyl-2-oxazoline1772-43-6 N-Isopropylacrylamide2210-25-5 2,4,5-Trimethyl-3-oxazoline22694-96-8

Elsewhere

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