2-(4-methoxyphenoxymethyl)piperidine

• ChemBase ID: 21182
• Molecular Formular: C13H19NO2
• Molecular Mass: 221.29546
• Monoisotopic Mass: 221.14157885
• SMILES: N1C(COc2ccc(cc2)OC)CCCC1
• Canonical SMILES: COc1ccc(cc1)OCC1CCCCN1
• InChI: InChI=1S/C13H19NO2/c1-15-12-5-7-13(8-6-12)16-10-11-4-2-3-9-14-11/h5-8,11,14H,2-4,9-10H2,1H3
• InChIKey: SVSNHJLZMKFEPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenoxymethyl)piperidine
• IUPAC Traditional name: 2-(4-methoxyphenoxymethyl)piperidine
• Synonyms: 2-[(4-Methoxyphenoxy)methyl]piperidine

Database IDs

• MDL Number: MFCD02663689
• PubChem SID: 160984489
• PubChem CID: 24706185

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.9805072
• LogD (pH = 7.4): 0.049829025
• Log P: 2.203633
• Molar Refractivity: 63.521 cm^3
• Polarizability: 25.36963 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