chempirical

1-(4-Hydroxymethyl-piperidin-1-yl)-ethanone

C8H15NO2CAS 846057-27-0157.21 g/mol

Open in Covalent MOL file
ONOH
AlcoholAmide

Properties

Molecular formula
C8H15NO2
Molar mass
157.21 g/mol
Exact mass
157.1103 Da
logP
0.24Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
1 / 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
846057-27-0
SMILES
CC(=O)N1CCC(CC1)CO
InChIKey
NBVJYNNOTNTJRX-UHFFFAOYSA-N
InChI
InChI=1S/C8H15NO2/c1-7(11)9-4-2-8(6-10)3-5-9/h8,10H,2-6H2,1H3

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Names and synonyms

1 names
  • 1-[4-(Hydroxymethyl)piperidin-1-yl]ethan-1-one

Work with 1-(4-Hydroxymethyl-piperidin-1-yl)-ethanone

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-Acetylpiperidin-4-ol4045-22-160 % similar 1-(4-Aminopiperidin-1-yl)ethan-1-one160357-94-855 % similar 1-Acetyl-4-piperidinecarboxylic acid25503-90-655 % similar N-Boc-4-piperidinemethanol123855-51-651 % similar N-Acetylpyrrolidine4030-18-650 % similar 1-Acetyl-4-piperidinecarbonyl chloride59084-16-150 % similar 1-Acetylpiperidine618-42-848 % similar 1-Methyl-4-piperidinemethanol20691-89-847 % similar

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

Same formula

Ethyl isonipecotate1126-09-6 Tranexamic acid1197-18-8 (αS)-α-Aminocyclohexaneacetic acid14328-51-9 D-Alpha-cyclohexylglycine14328-52-0 Ethyl 2-piperidinecarboxylate15862-72-3 Methyl 4-piperidineacetate168986-49-0 1-Methylnipecotinic acid methyl ester1690-72-8 Methyl N-methylisonipecotinate1690-75-1

Elsewhere

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