chempirical

Ethyl isonipecotate

C8H15NO2CAS 1126-09-6157.21 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
Boiling point
74 °C (at 1 Torr)
logP
0.55Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
1126-09-6
SMILES
CCOC(=O)C1CCNCC1
InChIKey
RUJPPJYDHHAEEK-UHFFFAOYSA-N
InChI
InChI=1S/C8H15NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h7,9H,2-6H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • 4-Piperidinecarboxylic acid, ethyl ester
  • Isonipecotic acid, ethyl ester
  • Ethyl 4-piperidinecarboxylate
  • 4-(Ethoxycarbonyl)piperidine
  • 4-Carboethoxypiperidine
  • NSC 93792
  • Piperidin-4-carboxylic acid ethyl ester

Work with Ethyl isonipecotate

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

Same formula

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 N-(4-Hydroxycyclohexyl)acetamide23363-88-4

Elsewhere

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