4-(3-methoxyphenoxy)piperidine hydrochloride

• ChemBase ID: 76256
• Molecular Formular: C12H18ClNO2
• Molecular Mass: 243.72982
• Monoisotopic Mass: 243.1026065
• SMILES: N1CCC(Oc2cc(ccc2)OC)CC1.Cl
• Canonical SMILES: COc1cccc(c1)OC1CCNCC1.Cl
• InChI: InChI=1S/C12H17NO2.ClH/c1-14-11-3-2-4-12(9-11)15-10-5-7-13-8-6-10;/h2-4,9-10,13H,5-8H2,1H3;1H
• InChIKey: UHCDHUVVZSMUKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03840129
• PubChem SID: 162041163
• PubChem CID: 17749795

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: 23.5271 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant