Ethyl piperidine-3-carboxylate

Base Information

• Chemical Name: Ethyl piperidine-3-carboxylate
• CAS No.: 5006-62-2
• Molecular Formula: C₈H₁₅NO₂
• Molecular Weight: 157.213
• Hs Code.: 29339900
• European Community (EC) Number: 225-681-3,276-211-9
• NSC Number: 158451
• DSSTox Substance ID: DTXSID301316669
• Nikkaji Number: J27.972B
• ChEMBL ID: CHEMBL348637
• Mol file: 5006-62-2.mol

Synonyms:ethyl nipecotate;nipecotic acid ethyl ester;nipecotic acid ethyl ester, (R)-isomer

Chemical Property of Ethyl piperidine-3-carboxylate

Chemical Property:

• Appearance/Colour: clear colorless to yellow-brown liquid
• Vapor Pressure: 0.042mmHg at 25°C
• Melting Point: 165-167 °C
• Refractive Index: n20/D 1.460(lit.)
• Boiling Point: 238.6 °C at 760 mmHg
• PKA: 9.35±0.10(Predicted)
• Flash Point: 90.6 °C
• PSA: 38.33000
• Density: 1.01 g/cm³
• LogP: 0.87790
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Sensitive.: Air Sensitive
• Water Solubility.: miscible
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 157.110278721
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

98% Min ^*data from raw suppliers

Ethyl nipecotate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,C
• Hazard Codes: Xi,C
• Statements: 36/37/38-34-20/21/22
• Safety Statements: 26-36/37/39-45-36-24/25-23

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1CCCNC1
• Uses: Ethyl Nipecotate is used in the synthesis of cyanothiophene inhibitors of peptidoglycan biosynthesis. Ethyl nipecotate was used in the synthesis of:α,α′-bis[3-(N,N-diethylcarbamoyl)-piperidino]-p-xylene2-amino-4-thiazolyl derivative of 3-(iso-propyl-3-piperidinyl)phenol