2-(2,3-dimethylphenyl)piperidine hydrochloride

• ChemBase ID: 283136
• Molecular Formular: C13H20ClN
• Molecular Mass: 225.7576
• Monoisotopic Mass: 225.12842733
• SMILES: c1(c(C2NCCCC2)cccc1C)C.Cl
• Canonical SMILES: Cc1cccc(c1C)C1CCCCN1.Cl
• InChI: InChI=1S/C13H19N.ClH/c1-10-6-5-7-12(11(10)2)13-8-3-4-9-14-13;/h5-7,13-14H,3-4,8-9H2,1-2H3;1H
• InChIKey: PNCIHLXYAYHMFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dimethylphenyl)piperidine hydrochloride
• IUPAC Traditional name: 2-(2,3-dimethylphenyl)piperidine hydrochloride
• Synonyms: 2-(2,3-dimethylphenyl)piperidine hydrochloride

Database IDs

• MDL Number: MFCD20501950
• PubChem SID: 180668667
• PubChem CID: 54595629

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.26122248
• LogD (pH = 7.4): 1.1060607
• Log P: 3.4685707
• Molar Refractivity: 61.2006 cm^3
• Polarizability: 23.921299 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 306 - 308°C
• Hydrophobicity(logP): 3.391

Product Information

• Purity: 95%