2-(4-methoxyphenyl)piperidine hydrochloride

• ChemBase ID: 19392
• Molecular Formular: C12H18ClNO
• Molecular Mass: 227.73042
• Monoisotopic Mass: 227.10769188
• SMILES: N1C(c2ccc(cc2)OC)CCCC1.Cl
• Canonical SMILES: COc1ccc(cc1)C1CCCCN1.Cl
• InChI: InChI=1S/C12H17NO.ClH/c1-14-11-7-5-10(6-8-11)12-4-2-3-9-13-12;/h5-8,12-13H,2-4,9H2,1H3;1H
• InChIKey: HHKSIGUAVGMWRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenyl)piperidine hydrochloride
• IUPAC Traditional name: 2-(4-methoxyphenyl)piperidine hydrochloride
• Synonyms: 2-(4-Methoxyphenyl)piperidine hydrochloride; 2-(4-methoxy-phenyl)piperidine hydrochloride

Database IDs

• CAS Number: 341526-79-2
• MDL Number: MFCD02178979
• PubChem SID: 160982699
• PubChem CID: 44118728

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9074786
• LogD (pH = 7.4): 0.07296543
• Log P: 2.2840567
• Molar Refractivity: 57.5814 cm^3
• Polarizability: 22.865952 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