N-phenyl-N-[1-(1-phenylpropan-2-yl)piperidin-4-yl]propanamide hydrochloride

• ChemBase ID: 173730
• Molecular Formular: C23H31ClN2O
• Molecular Mass: 386.95804
• Monoisotopic Mass: 386.2124913
• SMILES: C1CN(CCC1N(c1ccccc1)C(=O)CC)C(Cc1ccccc1)C.Cl
• Canonical SMILES: CCC(=O)N(c1ccccc1)C1CCN(CC1)C(Cc1ccccc1)C.Cl
• InChI: InChI=1S/C23H30N2O.ClH/c1-3-23(26)25(21-12-8-5-9-13-21)22-14-16-24(17-15-22)19(2)18-20-10-6-4-7-11-20;/h4-13,19,22H,3,14-18H2,1-2H3;1H
• InChIKey: AYZIIWODJOXKNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-phenyl-N-[1-(1-phenylpropan-2-yl)piperidin-4-yl]propanamide hydrochloride
• IUPAC Traditional name: α-methylfentanyl hydrochloride
• Synonyms: N-[1-(1-Methyl-2-phenylethyl)-4-piperidinyl]-N-phenylpropanamide Hydrochloride; China White; N-[1-(α-Methylphenethyl)-4-piperidyl]propionanilide Hydrochloride; NSC 167733; α-Methyl Fentanyl Hydrochloride

Database IDs

• CAS Number: 1443-44-3
• PubChem SID: 164229640
• PubChem CID: 24194381

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0298215
• LogD (pH = 7.4): 2.62199
• Log P: 4.232074
• Molar Refractivity: 107.9013 cm^3
• Polarizability: 42.14634 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: Pale Yellow Solid
• Melting Point: >250°C (dec.)

Safety Information

• Storage Condition: Controlled Substance, -20°C Freezer

DETAILS

Toronto Research Chemicals - M305310

A Fentanyl analog. An opiate receptor. Analgesic drug.Controlled Substance.

REFERENCES

• van Bever, W., et al.: J. Med. Chem., 17, 1047 (1974)
• Ohta, H., et al.: J. Anal. Toxicol., 23, 280 (1974)
• Palleschi, L., et al.: J. Pharm. Biomed. Anal., 32, 329 (1974)
• Koch, D., et al.: J. Pharm. Biomed. Anal., 34, 577 (1974)