ethyl 4-phenylpiperidine-4-carboxylate hydrochloride

• ChemBase ID: 156408
• Molecular Formular: C14H20ClNO2
• Molecular Mass: 269.7671
• Monoisotopic Mass: 269.11825657
• SMILES: CCOC(=O)C1(CCNCC1)c1ccccc1.Cl
• Canonical SMILES: CCOC(=O)C1(CCNCC1)c1ccccc1.Cl
• InChI: InChI=1S/C14H19NO2.ClH/c1-2-17-13(16)14(8-10-15-11-9-14)12-6-4-3-5-7-12;/h3-7,15H,2,8-11H2,1H3;1H
• InChIKey: BBWMASBANDIFMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-phenylpiperidine-4-carboxylate hydrochloride
• IUPAC Traditional name: norpethidine hydrochloride
• Synonyms: Normeperidine solution; 4-Phenyl-4-piperidinecarboxylic Acid Ethyl Ester Hydrochloride; 4-Phenylisonipecotic Acid Ethyl Ester Hydrochloride; Norpethidine Hydrochloride; Normeperidine Hydrochloride; 去甲哌替啶 溶液

Database IDs

• CAS Number: 24465-45-0
• EC Number: 200-659-6
• MDL Number: MFCD00039038
• PubChem SID: 162250546
• PubChem CID: 53444519

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0700386
• LogD (pH = 7.4): 0.15619652
• Log P: 2.0727525
• Molar Refractivity: 67.189 cm^3
• Polarizability: 26.621447 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 11 °C; 51.8 °F

Safety Information

• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 1230
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-23/24/25-39/23/24/25
• Safety Statements: 7-16-36/37-45
• GHS Pictograms: GHS02; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H301-H311-H331-H370
• GHS Precautionary statements: P210-P260-P280-P301 + P310-P311
• RID/ADR: UN 1230 3/PG 2
• Drug Control: Home Office Schedule 2; kontrollierte Droge in Deutschlandregulated under CDSA - not available from Sigma-Aldrich Canada
• Storage Temperature: -20°C

Product Information

• Concentration: 1 mg/mL in methanol
• Grade: drug standard

DETAILS

Toronto Research Chemicals - N718500

A metabolite of Meperidine HCl (M223900).

REFERENCES

• Gilbert, P.E., et al.: J. Pharmacol. Exp. Ther., 192, 538 (1975)
• Leroux., et al.: Gen. Comp. Endocrinol., 46, 13 (1975)
• Anon., et al.: J. Med. Chem., 42, 44380 (1975)