3-{1-[6-(3-methoxyphenoxy)hexyl]piperidin-2-yl}pyridine

• ChemBase ID: 216877
• Molecular Formular: C23H32N2O2
• Molecular Mass: 368.51238
• Monoisotopic Mass: 368.24637827
• SMILES: N1(C(c2cnccc2)CCCC1)CCCCCCOc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)OCCCCCCN1CCCCC1c1cccnc1
• InChI: InChI=1S/C23H32N2O2/c1-26-21-11-8-12-22(18-21)27-17-7-3-2-5-15-25-16-6-4-13-23(25)20-10-9-14-24-19-20/h8-12,14,18-19,23H,2-7,13,15-17H2,1H3
• InChIKey: NFDQBOHSSBVHTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{1-[6-(3-methoxyphenoxy)hexyl]piperidin-2-yl}pyridine
• IUPAC Traditional name: 3-{1-[6-(3-methoxyphenoxy)hexyl]piperidin-2-yl}pyridine

Database IDs

• PubChem SID: 164272787
• PubChem CID: 16407052

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2367313
• LogD (pH = 7.4): 2.670574
• Log P: 4.5599413
• Molar Refractivity: 109.9834 cm^3
• Polarizability: 43.29112 Å^3
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds