chempirical

1-Cyclopropylpiperidin-4-one

C8H13NOCAS 62813-01-8139.20 g/mol

Open in Covalent MOL file
NO
KetoneTertiary amine

Properties

Molecular formula
C8H13NO
Molar mass
139.20 g/mol
Exact mass
139.0997 Da
logP
0.81Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
62813-01-8
SMILES
C1CC1N2CCC(=O)CC2
InChIKey
DTUJRJIWGWTNFQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H13NO/c10-8-3-5-9(6-4-8)7-1-2-7/h7H,1-6H2

Weigh it out

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

Work with 1-Cyclopropylpiperidin-4-one

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

1-Isopropyl-4-piperidinone5355-68-056 % similar 1-Methyl-4-piperidone1445-73-444 % similar 1-Cyclopropylpiperazine20327-23-542 % similar 1-Isobutyl-4-piperidinone72544-16-241 % similar 1-Ethyl-4-piperidinone3612-18-841 % similar 1,4-Cyclohexanedione637-88-740 % similar 1-Propyl-4-piperidone23133-37-139 % similar 1-Acetyl-4-piperidone32161-06-139 % similar

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

Same formula

7-Cyanoheptanal13050-09-4 Vinylcaprolactam2235-00-9 trans-1-Isocyanato-4-methylcyclohexane32175-00-1 Tropinone532-24-1 3-Amino-5,5-dimethyl-2-cyclohexen-1-one873-95-0

Elsewhere

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