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

Hazards

Warning
Irritant (GHS07)

Aggregated from 22 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Piperidine-4-carboxylic acid ethyl ester hydrochloride147636-76-8Salt

Similar compounds

Ethyl cyclopropanecarboxylate4606-07-973 % similar Ethyl pyrrolidine-3-carboxylate hydrochloride80028-44-072 % similar Ethyl cyclobutanecarboxylate14924-53-968 % similar Ethyl cyclohexanecarboxylate3289-28-966 % similar (-)-Ethyl nipecotate25137-01-364 % similar (+)-Ethyl nipecotate37675-18-664 % similar Ethyl nipecotate5006-62-264 % similar Ethyl nipecotate71962-74-864 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Tranexamic acid1197-18-8 (αS)-α-Aminocyclohexaneacetic acid14328-51-9 D-Alpha-cyclohexylglycine14328-52-0 Ethyl 2-piperidinecarboxylate15862-72-3 Methyl 4-piperidineacetate168986-49-0 1-Methylnipecotinic acid methyl ester1690-72-8 Methyl N-methylisonipecotinate1690-75-1 N-(Butoxymethyl)acrylamide1852-16-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook