ethyl piperidine-4-carboxylate hydrochloride

• ChemBase ID: 287460
• Molecular Formular: C8H16ClNO2
• Molecular Mass: 193.67114
• Monoisotopic Mass: 193.08695644
• SMILES: O=C(C1CCNCC1)OCC.Cl
• Canonical SMILES: CCOC(=O)C1CCNCC1.Cl
• InChI: InChI=1S/C8H15NO2.ClH/c1-2-11-8(10)7-3-5-9-6-4-7;/h7,9H,2-6H2,1H3;1H
• InChIKey: SNZAKTXWTXRXNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl piperidine-4-carboxylate hydrochloride
• IUPAC Traditional name: ethyl piperidine-4-carboxylate hydrochloride
• Synonyms: Ethyl piperidine-4-carboxylate hydrochloride

Database IDs

• CAS Number: 147636-76-8
• MDL Number: MFCD06655993
• PubChem SID: 180672991
• PubChem CID: 18521570

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8098829
• LogD (pH = 7.4): -1.8388063
• Log P: 0.38293418
• Molar Refractivity: 42.593 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+%