chempirical

Ethyl N-piperidinylacetate

C9H17NO2CAS 23853-10-3171.24 g/mol

Open in Covalent MOL file
OON
EsterTertiary amine

Properties

Molecular formula
C9H17NO2
Molar mass
171.24 g/mol
Exact mass
171.1259 Da
Boiling point
103 °C (at 12 Torr)
logP
1.04Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
23853-10-3
SMILES
CCOC(=O)CN1CCCCC1
InChIKey
LXZHLNWWDDNIOJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H17NO2/c1-2-12-9(11)8-10-6-4-3-5-7-10/h2-8H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • 1-Piperidineacetic acid, ethyl ester
  • Ethyl piperidinoacetate
  • Ethyl 1-piperidineacetate
  • Piperidin-1-ylacetic acid ethyl ester
  • Ethyl 2-(piperidin-1-yl)acetate

Work with Ethyl N-piperidinylacetate

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

Ethyl 1-piperidinepropanoate19653-33-970 % similar 1-(Ethoxycarbonylmethyl)piperazine40004-08-868 % similar N,N-Dimethylglycine ethyl ester33229-89-957 % similar Diethyl sebacate110-40-755 % similar Diethyl pimelate2050-20-655 % similar Diethyl suberate2050-23-955 % similar Diethyl azelate624-17-955 % similar Diethyl glutarate818-38-254 % similar

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

Same formula

(Diethylamino)ethyl acrylate2426-54-2 (3S,4S)-4-(2-Methylpropyl)-3-pyrrolidinecarboxylic acid261896-40-6 L-Proline 1,1-dimethylethyl ester2812-46-6 Ethyl 1-methyl-2-piperidinecarboxylate30727-18-5 Ethyl 1-methyl-3-piperidinecarboxylate5166-67-6 Gabapentin60142-96-3 Ethyl (2R,4R)-4-methyl-2-piperidinecarboxylate74892-82-3 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-9

Elsewhere

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