ethyl 1-[2-(morpholin-4-yl)ethyl]-4-phenylpiperidine-4-carboxylate

• ChemBase ID: 130399
• Molecular Formular: C20H30N2O3
• Molecular Mass: 346.4638
• Monoisotopic Mass: 346.22564283
• SMILES: O=C(OCC)C1(c2ccccc2)CCN(CCN2CCOCC2)CC1
• Canonical SMILES: CCOC(=O)C1(CCN(CC1)CCN1CCOCC1)c1ccccc1
• InChI: InChI=1S/C20H30N2O3/c1-2-25-19(23)20(18-6-4-3-5-7-18)8-10-21(11-9-20)12-13-22-14-16-24-17-15-22/h3-7H,2,8-17H2,1H3
• InChIKey: JDEDMCKQPKGSAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1-[2-(morpholin-4-yl)ethyl]-4-phenylpiperidine-4-carboxylate
• IUPAC Traditional name: morpheridine
• Synonyms: Morpheridine; ########; Morpheridine Dihydrochloride

Database IDs

• CAS Number: 469-81-8; 110051-57-5
• PubChem SID: 162224678
• PubChem CID: 61121
• Chemspider ID: 55069
• Unique Ingredient Identifier: 1854GKB41Y
• Wikipedia Title: Morpheridine

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.64034957
• LogD (pH = 7.4): 1.1246443
• Log P: 2.2559445
• Molar Refractivity: 99.5773 cm^3
• Polarizability: 39.159794 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Legal Status: CD (UK); international schedule I; Schedule I (US)

DETAILS

Toronto Research Chemicals - M651800

A new analogue of Meperidine (M223900). Controlled substance (opiate).

REFERENCES

• Millar, R.A., et al.: Br. J. Pharmacol., 11, 27 (1956), Pauwels, R., et al.: Antimicrob. Agents Chemother., 38, 2863 (1994), Estrada, E., et al.: J. Med. Chem., 43, 1975 (2000),