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

• ChemBase ID: 217532
• Molecular Formular: C20H26N2O2
• Molecular Mass: 326.43264
• Monoisotopic Mass: 326.19942808
• SMILES: N1(C(c2cnccc2)CCCC1)CCCOc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1OCCCN1CCCCC1c1cccnc1
• InChI: InChI=1S/C20H26N2O2/c1-23-19-10-2-3-11-20(19)24-15-7-14-22-13-5-4-9-18(22)17-8-6-12-21-16-17/h2-3,6,8,10-12,16,18H,4-5,7,9,13-15H2,1H3
• InChIKey: ADUGBERARZJNJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164273442
• PubChem CID: 16407540

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.22890411
• LogD (pH = 7.4): 1.9688436
• Log P: 3.1534414
• Molar Refractivity: 96.1368 cm^3
• Polarizability: 37.757877 Å^3
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds