Ethyl 4-piperidone-3-carboxylate hydrochloride

C8H14ClNO3CAS 4644-61-5207.65 g/mol

Open in Covalent MOL file
OONHOHCl
EsterKetoneSecondary amine

Properties

Molecular formula
C8H14ClNO3
Molar mass
207.65 g/mol
Exact mass
207.0662 Da
Melting point
168–169 °C (decomposes)
logP
0.15Crippen estimate
Polar surface area
55.4 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 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
4644-61-5
SMILES
CCOC(=O)C1CNCCC1=O.Cl
InChIKey
RTYXWLMQWSFXNI-UHFFFAOYSA-N
InChI
InChI=1S/C8H13NO3.ClH/c1-2-12-8(11)6-5-9-4-3-7(6)10;/h6,9H,2-5H2,1H3;1H

Weigh it out

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

Names and synonyms

9 names
  • 3-Piperidinecarboxylic acid, 4-oxo-, ethyl ester, hydrochloride (1:1)
  • Nipecotic acid, 4-oxo-, ethyl ester, hydrochloride
  • 3-Piperidinecarboxylic acid, 4-oxo-, ethyl ester, hydrochloride
  • 3-Ethoxycarbonyl-4-piperidinone hydrochloride
  • 3-Ethoxycarbonyl-4-piperidone hydrochloride
  • Ethyl 4-oxo-3-piperidinecarboxylate hydrochloride
  • 4-Oxo-3-piperidinecarboxylic acid ethyl ester hydrochloride
  • 3-(Ethoxycarbonyl)-4-oxopiperidinium chloride
  • NSC 74467

Work with Ethyl 4-piperidone-3-carboxylate hydrochloride

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.

4-Oxo-piperidine-3-carboxylic acid ethyl ester67848-59-3Free base

Similar compounds

Methyl 4-oxopiperidine-3-carboxylate hydrochloride71486-53-868 % similar Ethyl pyrrolidine-3-carboxylate hydrochloride80028-44-057 % similar (R)-Piperidine-3-carboxylic acid ethyl ester hydrochloride37675-19-755 % similar Ethyl 2-oxocyclopentanecarboxylate611-10-954 % similar Piperidine-4-carboxylic acid ethyl ester hydrochloride147636-76-853 % similar Ethyl 2-oxocyclohexanecarboxylate1655-07-853 % similar Diethyl succinylsuccinate787-07-551 % similar 3-Methylpiperidin-4-one hydrochloride4629-78-149 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(2-Chloroacetyl)-L-leucine688-12-0

Elsewhere

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