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

• ChemBase ID: 217289
• Molecular Formular: C20H26N2O2
• Molecular Mass: 326.43264
• Monoisotopic Mass: 326.19942808
• SMILES: N1(C(c2cnccc2)CCCC1)CCCOc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)OCCCN1CCCCC1c1cccnc1
• InChI: InChI=1S/C20H26N2O2/c1-23-18-8-4-9-19(15-18)24-14-6-13-22-12-3-2-10-20(22)17-7-5-11-21-16-17/h4-5,7-9,11,15-16,20H,2-3,6,10,12-14H2,1H3
• InChIKey: BIJAOTQPTHIZPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164273199
• PubChem CID: 16407371

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.18021579
• LogD (pH = 7.4): 1.9055897
• Log P: 3.1534414
• Molar Refractivity: 96.1368 cm^3
• Polarizability: 37.756336 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