3-(2-methoxyphenyl)piperidine hydrochloride

• ChemBase ID: 19379
• Molecular Formular: C12H18ClNO
• Molecular Mass: 227.73042
• Monoisotopic Mass: 227.10769188
• SMILES: c1(c(OC)cccc1)C1CNCCC1.Cl
• Canonical SMILES: COc1ccccc1C1CCCNC1.Cl
• InChI: InChI=1S/C12H17NO.ClH/c1-14-12-7-3-2-6-11(12)10-5-4-8-13-9-10;/h2-3,6-7,10,13H,4-5,8-9H2,1H3;1H
• InChIKey: GJZPPBBVNVVKKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxyphenyl)piperidine hydrochloride
• IUPAC Traditional name: 3-(2-methoxyphenyl)piperidine hydrochloride
• Synonyms: 3-(2-Methoxyphenyl)piperidine hydrochloride

Database IDs

• CAS Number: 19725-12-3
• MDL Number: MFCD02178953
• PubChem SID: 160982686
• PubChem CID: 45073839

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2151389
• LogD (pH = 7.4): -0.44200638
• Log P: 1.9985932
• Molar Refractivity: 57.8652 cm^3
• Polarizability: 22.789934 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false