4-(4-methoxyphenyl)piperidine hydrochloride

• ChemBase ID: 18959
• Molecular Formular: C12H18ClNO
• Molecular Mass: 227.73042
• Monoisotopic Mass: 227.10769188
• SMILES: c1c(ccc(c1)C1CCNCC1)OC.Cl
• Canonical SMILES: COc1ccc(cc1)C1CCNCC1.Cl
• InChI: InChI=1S/C12H17NO.ClH/c1-14-12-4-2-10(3-5-12)11-6-8-13-9-7-11;/h2-5,11,13H,6-9H2,1H3;1H
• InChIKey: GTHXQDYBGATGPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methoxyphenyl)piperidine hydrochloride
• IUPAC Traditional name: 4-(4-methoxyphenyl)piperidine hydrochloride
• Synonyms: 4-(4-Methoxy-phenyl)-piperidine hydrochloride

Database IDs

• CAS Number: 6748-48-7
• MDL Number: MFCD02178921
• PubChem SID: 160982266
• PubChem CID: 22252853

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3021672
• LogD (pH = 7.4): -0.65994567
• Log P: 1.9206395
• Molar Refractivity: 57.9422 cm^3
• Polarizability: 22.78904 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