chempirical

Ethyl 1-methyl-3-piperidinecarboxylate

C9H17NO2CAS 5166-67-6171.24 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
Density
0.981 g/mL (at 20 °C)
Boiling point
105–107 °C (at 2.5 Torr)
logP
0.89Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
5166-67-6
SMILES
CCOC(=O)C1CCCN(C)C1
InChIKey
VFJJNMLPRDRTCO-UHFFFAOYSA-N
InChI
InChI=1S/C9H17NO2/c1-3-12-9(11)8-5-4-6-10(2)7-8/h8H,3-7H2,1-2H3

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Names and synonyms

5 names
  • 3-Piperidinecarboxylic acid, 1-methyl-, ethyl ester
  • Nipecotic acid, 1-methyl-, ethyl ester
  • Ethyl 1-methylnipecotate
  • Ethyl N-methylnipecotate
  • NSC 64739

Work with Ethyl 1-methyl-3-piperidinecarboxylate

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-Methylnipecotinic acid methyl ester1690-72-867 % similar Ethyl cyclobutanecarboxylate14924-53-961 % similar Ethyl cyclohexanecarboxylate3289-28-959 % similar Ethyl cyclopropanecarboxylate4606-07-955 % similar 1-(1,1-Dimethylethyl) 3-ethyl 1,3-pyrrolidinedicarboxylate170844-49-251 % similar (-)-Ethyl nipecotate25137-01-350 % similar Ethyl 3-oxocyclohexanecarboxylate33668-25-650 % similar (+)-Ethyl nipecotate37675-18-650 % similar

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

Same formula

Ethyl N-piperidinylacetate23853-10-3 (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 Gabapentin60142-96-3 Ethyl (2R,4R)-4-methyl-2-piperidinecarboxylate74892-82-3 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-9

Elsewhere

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