ethyl (2S)-piperidine-2-carboxylate hydrochloride

• ChemBase ID: 287219
• Molecular Formular: C8H16ClNO2
• Molecular Mass: 193.67114
• Monoisotopic Mass: 193.08695644
• SMILES: O=C([C@H]1NCCCC1)OCC.Cl
• Canonical SMILES: CCOC(=O)[C@@H]1CCCCN1.Cl
• InChI: InChI=1S/C8H15NO2.ClH/c1-2-11-8(10)7-5-3-4-6-9-7;/h7,9H,2-6H2,1H3;1H/t7-;/m0./s1
• InChIKey: KGAWPIXNSIYQPC-FJXQXJEOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl (2S)-piperidine-2-carboxylate hydrochloride
• IUPAC Traditional name: ethyl (2S)-piperidine-2-carboxylate hydrochloride
• Synonyms: (S)-Ethyl piperidine-2-carboxylate hydrochloride

Database IDs

• CAS Number: 123495-48-7
• MDL Number: MFCD09264372
• PubChem SID: 180672750
• PubChem CID: 49802334

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.21326578
• LogD (pH = 7.4): 0.79555833
• Log P: 0.85012925
• Molar Refractivity: 42.183 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: 95+%