4-(diphenylmethoxy)-1-methylpiperidine hydrochloride

• ChemBase ID: 104948
• Molecular Formular: C19H24ClNO
• Molecular Mass: 317.85296
• Monoisotopic Mass: 317.15464207
• SMILES: Cl.CN1CCC(CC1)OC(c1ccccc1)c1ccccc1
• Canonical SMILES: CN1CCC(CC1)OC(c1ccccc1)c1ccccc1.Cl
• InChI: InChI=1S/C19H23NO.ClH/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18-19H,12-15H2,1H3;1H
• InChIKey: LPRLDRXGWKXRMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(diphenylmethoxy)-1-methylpiperidine hydrochloride
• IUPAC Traditional name: diphenylpyraline hydrochloride
• Synonyms: 4-BENZHYDRYLOXY-1-METHYL PIPERIDINE HYDROCHLORIDE; Diphenylpyraline hydrochloride; 4-Diphenylmethoxy-1-methylpiperidine hydrochloride; diphenylpyraline hydrochloride; Diphenylpyraline hydrochloride; 4-Diphenylmethoxy-1-methylpiperidine; DIPHENYLPYRALINE; 4-二苯甲氧基-1-甲基哌啶; 二苯拉林 盐酸盐; 双苯比拉林 盐酸盐; 二苯拉林 盐酸盐

Database IDs

• CAS Number: 132-18-3
• EC Number: 205-049-3
• MDL Number: MFCD00012835
• PubChem SID: 162091970; 24856946
• PubChem CID: 66063

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.52955604
• LogD (pH = 7.4): 2.1785989
• Log P: 3.6600688
• Molar Refractivity: 87.359 cm^3
• Polarizability: 34.356525 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 203-205 °C(lit.)

Safety Information

• RTECS: TM7823600
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Pharmacology Properties

• Target: Others

Product Information

• Purity: 95%
• Salt Data: hydrochloride
• Empirical Formula (Hill Notation): C19H23NO · HCl

DETAILS

MP Biomedicals - 05224455

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02157868

Hydrochloride
Crystalline

Sigma Aldrich - 280550

Packaging
10 g in poly bottle