4-[(4-methoxyphenyl)methoxy]piperidine hydrochloride

• ChemBase ID: 47382
• Molecular Formular: C13H20ClNO2
• Molecular Mass: 257.7564
• Monoisotopic Mass: 257.11825657
• SMILES: N1CCC(OCc2ccc(cc2)OC)CC1.Cl
• Canonical SMILES: COc1ccc(cc1)COC1CCNCC1.Cl
• InChI: InChI=1S/C13H19NO2.ClH/c1-15-12-4-2-11(3-5-12)10-16-13-6-8-14-9-7-13;/h2-5,13-14H,6-10H2,1H3;1H
• InChIKey: JVDWLGLWQNWTJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(4-methoxyphenyl)methoxy]piperidine hydrochloride
• IUPAC Traditional name: 4-[(4-methoxyphenyl)methoxy]piperidine hydrochloride
• Synonyms: 4-[(4-Methoxybenzyl)oxy]piperidine hydrochloride

Database IDs

• MDL Number: MFCD13561249
• PubChem SID: 162052145
• PubChem CID: 53409958

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8848244
• LogD (pH = 7.4): -1.1964014
• Log P: 1.3351095
• Molar Refractivity: 64.2447 cm^3
• Polarizability: 25.380861 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false