4-(4-methoxyphenoxy)piperidine hydrochloride

• ChemBase ID: 76254
• Molecular Formular: C12H18ClNO2
• Molecular Mass: 243.72982
• Monoisotopic Mass: 243.1026065
• SMILES: N1CCC(Oc2ccc(cc2)OC)CC1.Cl
• Canonical SMILES: COc1ccc(cc1)OC1CCNCC1.Cl
• InChI: InChI=1S/C12H17NO2.ClH/c1-14-10-2-4-11(5-3-10)15-12-6-8-13-9-7-12;/h2-5,12-13H,6-9H2,1H3;1H
• InChIKey: QNAZHUIQLCZUJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 333954-89-5
• MDL Number: MFCD03840124
• PubChem SID: 162041161
• PubChem CID: 17832300

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9057373
• LogD (pH = 7.4): -1.0614187
• Log P: 1.3016615
• Molar Refractivity: 59.1408 cm^3
• Polarizability: 23.526157 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 187 - 189°C
• Hydrophobicity(logP): 1.762

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%