3-(4-methoxyphenoxy)piperidine hydrochloride

• ChemBase ID: 20883
• Molecular Formular: C12H18ClNO2
• Molecular Mass: 243.72982
• Monoisotopic Mass: 243.1026065
• SMILES: N1CC(Oc2ccc(cc2)OC)CCC1.Cl
• Canonical SMILES: COc1ccc(cc1)OC1CCCNC1.Cl
• InChI: InChI=1S/C12H17NO2.ClH/c1-14-10-4-6-11(7-5-10)15-12-3-2-8-13-9-12;/h4-7,12-13H,2-3,8-9H2,1H3;1H
• InChIKey: UJTAWPLIQXOITO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methoxyphenoxy)piperidine hydrochloride
• IUPAC Traditional name: 3-(4-methoxyphenoxy)piperidine hydrochloride
• Synonyms: 3-(4-Methoxyphenoxy)piperidine hydrochloride

Database IDs

• MDL Number: MFCD05863871
• PubChem SID: 160984190
• PubChem CID: 17749767

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4116923
• LogD (pH = 7.4): -0.3053584
• Log P: 1.7590644
• Molar Refractivity: 58.92 cm^3
• Polarizability: 23.526104 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false