4-[(3,4-dichlorophenyl)methoxy]piperidine hydrochloride

• ChemBase ID: 238631
• Molecular Formular: C12H16Cl3NO
• Molecular Mass: 296.62054
• Monoisotopic Mass: 295.02974718
• SMILES: c1(c(ccc(c1)COC1CCNCC1)Cl)Cl.Cl
• Canonical SMILES: Clc1ccc(cc1Cl)COC1CCNCC1.Cl
• InChI: InChI=1S/C12H15Cl2NO.ClH/c13-11-2-1-9(7-12(11)14)8-16-10-3-5-15-6-4-10;/h1-2,7,10,15H,3-6,8H2;1H
• InChIKey: IGVQRCAXHZFOGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(3,4-dichlorophenyl)methoxy]piperidine hydrochloride
• IUPAC Traditional name: 4-[(3,4-dichlorophenyl)methoxy]piperidine hydrochloride
• Synonyms: 4-[(3,4-dichlorophenyl)methoxy]piperidine hydrochloride

Database IDs

• MDL Number: MFCD18837208
• PubChem SID: 164294541
• PubChem CID: 13194427

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5190638
• LogD (pH = 7.4): 0.16935927
• Log P: 2.70087
• Molar Refractivity: 67.3911 cm^3
• Polarizability: 26.636782 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.718

Product Information

• Purity: 95%