chempirical

Ethyl 2-piperidinecarboxylate

C8H15NO2CAS 35677-84-0157.21 g/mol

Open in Covalent MOL file
OOHN
EsterSecondary amine

Properties

Molecular formula
C8H15NO2
Molar mass
157.21 g/mol
Exact mass
157.1103 Da
Density
1.0065 g/mL (at 25 °C)
Boiling point
93–94 °C (at 11 Torr)
logP
0.69Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
35677-84-0
SMILES
CCOC(=O)C1CCCCN1
InChIKey
SZIKRGHFZTYTIT-UHFFFAOYSA-N
InChI
InChI=1S/C8H15NO2/c1-2-11-8(10)7-5-3-4-6-9-7/h7,9H,2-6H2,1H3

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Names and synonyms

12 names
  • 2-Piperidinecarboxylic acid, ethyl ester
  • Pipecolic acid, ethyl ester
  • Ethyl 2-pipecolate
  • Ethyl pipecolate
  • Ethyl pipecolinate
  • 2-(Ethoxycarbonyl)piperidine
  • (±)-2-Piperidinecarboxylic acid ethyl ester
  • DL-Pipecolic acid ethyl ester
  • (±)-Ethyl pipecolinate
  • NSC 49360
  • DL-Ethyl pipecolinate
  • Ethyl piperolinate

Work with Ethyl 2-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

H-D-Pro-oet hcl131477-20-881 % similar Methyl pipecolinate41994-45-064 % similar Ethyl (2R,4R)-4-methyl-2-piperidinecarboxylate74892-82-361 % similar 1,2-Diethyl 1,2-cyclohexanedicarboxylate10138-59-756 % similar D-Proline methyl ester43041-12-956 % similar Ethyl cyclohexanecarboxylate3289-28-955 % similar Ethyl cyclobutanecarboxylate14924-53-952 % similar Methyl prolinate hydrochloride2133-40-651 % 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 Ethyl 2-piperidinecarboxylate15862-72-3 1-Methylnipecotinic acid methyl ester1690-72-8 Methyl N-methylisonipecotinate1690-75-1 N-(Butoxymethyl)acrylamide1852-16-0 Diethylacetoacetamide2235-46-3

Elsewhere

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