ethyl (3R)-piperidine-3-carboxylate

• ChemBase ID: 813259
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: C1CCNC[C@@H]1C(=O)OCC
• Canonical SMILES: CCOC(=O)[C@@H]1CCCNC1
• InChI: InChI=1S/C8H15NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h7,9H,2-6H2,1H3/t7-/m1/s1
• InChIKey: XIWBSOUNZWSFKU-SSDOTTSWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl (3R)-piperidine-3-carboxylate
• IUPAC Traditional name: ethyl (3R)-piperidine-3-carboxylate
• Synonyms: ETHYL (3R)-PIPERIDINE-3-CARBOXYLATE

Database IDs

• CAS Number: 25137-01-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.586615
• LogD (pH = 7.4): -1.3031387
• Log P: 0.53884166
• Molar Refractivity: 42.439 cm^3
• Polarizability: 17.03371 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%