4-(4-methoxyphenoxymethyl)piperidine

• ChemBase ID: 17863
• Molecular Formular: C13H19NO2
• Molecular Mass: 221.29546
• Monoisotopic Mass: 221.14157885
• SMILES: c1(OCC2CCNCC2)ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)OCC1CCNCC1
• InChI: InChI=1S/C13H19NO2/c1-15-12-2-4-13(5-3-12)16-10-11-6-8-14-9-7-11/h2-5,11,14H,6-10H2,1H3
• InChIKey: NPWGQYGFHRSCQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methoxyphenoxymethyl)piperidine
• IUPAC Traditional name: 4-(4-methoxyphenoxymethyl)piperidine
• Synonyms: 4-(4-Methoxy-phenoxymethyl)-piperidine; 4-[(4-methoxyphenoxy)methyl]piperidine

Database IDs

• CAS Number: 63608-38-8
• MDL Number: MFCD07402197
• PubChem SID: 160981170
• PubChem CID: 6498684

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4691586
• LogD (pH = 7.4): -1.0083879
• Log P: 1.7622622
• Molar Refractivity: 63.9588 cm^3
• Polarizability: 25.36969 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