ethyl 1-methyl-4-(2H5)phenylpiperidine-4-carboxylate hydrochloride

• ChemBase ID: 172585
• Molecular Formular: C15H22ClNO2
• Molecular Mass: 283.79368
• Monoisotopic Mass: 283.13390663
• SMILES: C1C(CCN(C1)C)(C(=O)OCC)c1ccccc1.Cl
• Canonical SMILES: CCOC(=O)C1(CCN(CC1)C)c1ccccc1.Cl
• InChI: InChI=1S/C15H21NO2.ClH/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13;/h4-8H,3,9-12H2,1-2H3;1H
• InChIKey: WCNLCIJMFAJCPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1-methyl-4-(^2H₅)phenylpiperidine-4-carboxylate hydrochloride
• IUPAC Traditional name: ethyl 1-methyl-4-(^2H₅)phenylpiperidine-4-carboxylate hydrochloride
• Synonyms: 1-Methyl-4-phenyl-4-piperidinecarboxylic Acid-d5 Ethyl Ester Hydrochloride; 1-Methyl-4-phenyl-isonipecotic Acid-d5 Ethyl Ester Hydrochloride; (+/-)-Pethidine-d5 Hydrochloride; Algil-d5; Alodan-d5; Antiduol-d5; Centralgin-d5; Demerol-d5 Hydrochloride; Dispadol-d5; Dolantal-d5; Dolantin-d5; Dolaren-d5; Dolargan-d5; Dolcontral-d5; Dolestine-d5; Dolin-d5; Dolosal-d5; Dolsin-d5; Ethyl 1-Methyl-4-phenylpiperidine-4-carboxylate-d5 Hydrochloride; Lidol-d5; Mefedina-d5; Mialgin-d5; Meperidine-d5 Hydrochloride

Database IDs

• PubChem SID: 164228495
• PubChem CID: 71749925

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.14636338
• LogD (pH = 7.4): 1.627321
• Log P: 2.4558003
• Molar Refractivity: 72.4837 cm^3
• Polarizability: 28.487785 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - M223902

Analgesic; sedative; anesthetic.Controlled substance (opiate).

REFERENCES

• DeRossi, R., et al.: Vet. J., 178, 294 (2008)
• Hoecker, J., et al.: Anesthesiol., 109, 95 (2008)
• Fliri, A., et al.: J. Med. Chem., 52, 8038 (2008)