chempirical

Ethyl nipecotate

C8H15NO2CAS 71962-74-8157.21 g/mol

Open in Covalent MOL file
OONH
EsterSecondary amine

Properties

Molecular formula
C8H15NO2
Molar mass
157.21 g/mol
Exact mass
157.1103 Da
Density
1.0121 g/mL (at 20 °C)
Melting point
165–167 °C
Boiling point
102–104 °C (at 7 Torr)
logP
0.55Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
71962-74-8
SMILES
CCOC(=O)C1CCCNC1
InChIKey
XIWBSOUNZWSFKU-UHFFFAOYSA-N
InChI
InChI=1S/C8H15NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h7,9H,2-6H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • 3-Piperidinecarboxylic acid, ethyl ester
  • Nipecotic acid, ethyl ester
  • 3-(Ethoxycarbonyl)piperidine
  • Ethyl 3-piperidinecarboxylate
  • (±)-3-Piperidinecarboxylic acid ethyl ester
  • NSC 158451

Work with Ethyl nipecotate

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 nipecotate25137-01-3100 % similar (+)-Ethyl nipecotate37675-18-6100 % similar Ethyl nipecotate5006-62-2100 % similar Methyl (3R)-3-piperidinecarboxylate164323-85-765 % similar Ethyl cyclobutanecarboxylate14924-53-965 % similar Ethyl cyclohexanecarboxylate3289-28-963 % similar Ethyl cyclopropanecarboxylate4606-07-958 % similar Ethyl morpholine-2-carboxylate107904-06-357 % 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 1-Methylnipecotinic acid methyl ester1690-72-8 Methyl N-methylisonipecotinate1690-75-1 N-(Butoxymethyl)acrylamide1852-16-0

Elsewhere

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