2-Methylpiperidin-4-one hydrochloride

C₆H₁₂ClNOCAS 13729-77-6149.62 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: 0.75Crippen estimate
Polar surface area: 29.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Identifiers

CAS number

13729-77-6

SMILES

CC1CC(=O)CCN1.Cl

InChIKey

ACXLFVKOKDSUOU-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

1 names

2-Methyl-4-piperidinone hydrochloride

Work with 2-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

Similar compounds

3-Pyrrolidinone, hydrochloride (1:1)3760-52-947 % similar 4-Piperidone hydrochloride41979-39-945 % similar (3S)-3-Methylmorpholine hydrochloride1022094-03-638 % similar 3-Methylcyclopentanone1757-42-238 % similar 3-Pyrrolidinone96-42-437 % similar (Rs)-3-methylcyclohexanone591-24-235 % similar 4-Piperidinone41661-47-634 % similar 3-Aminocyclobutan-1-one hydrochloride1035374-20-934 % similar

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

Same formula

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

Elsewhere

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