1,3-Dimethyl-4-piperidone

C₇H₁₃NOCAS 4629-80-5127.19 g/mol

Open in Covalent MOL file

Ketone Tertiary amine

Properties

Molecular formula: C₇H₁₃NO
Molar mass: 127.19 g/mol
Exact mass: 127.0997 Da
Boiling point: 43–43.4 °C (at 5.5 Torr)
logP: 0.53Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

4629-80-5

SMILES

CC1CN(C)CCC1=O

InChIKey

BGDGMIWDPMJYPP-UHFFFAOYSA-N

InChI

InChI=1S/C7H13NO/c1-6-5-8(2)4-3-7(6)9/h6H,3-5H2,1-2H3

Weigh it out

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

Names and synonyms

3 names

4-Piperidinone, 1,3-dimethyl-
4-Piperidone, 1,3-dimethyl-
1,3-Dimethyl-4-piperidinone

Work with 1,3-Dimethyl-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

Similar compounds

3-Methyl-1-(2-phenylethyl)piperidin-4-one129164-39-246 % similar 1-Benzyl-3-methylpiperidin-4-one34737-89-846 % similar 2-Methylcyclopentanone1120-72-543 % similar 2-Methylcyclohexanone583-60-842 % similar 1-Methyl-4-piperidone1445-73-441 % similar 1-Methylhexahydro-4-azepinone hydrochloride19869-42-237 % similar Dihydro-2-methyl-3(2H)-thiophenone13679-85-133 % similar 1-Methylnipecotinic acid methyl ester1690-72-833 % similar

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

Same formula

tert-Butylacrylamide107-58-4 Cyclohexanecarboxamide1122-56-1 N-Isopropylmethacrylamide13749-61-6 (±)-3-Quinuclidinol1619-34-7 1-Aza-2-methoxy-1-cycloheptene2525-16-8 Hexyl isocyanate2525-62-4 (R)-3-Quinuclidinol25333-42-0 N-Methylcaprolactam2556-73-2

Elsewhere

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