3-{1-[5-(2,6-dimethoxyphenoxy)pentyl]piperidin-2-yl}pyridine

• ChemBase ID: 216977
• Molecular Formular: C23H32N2O3
• Molecular Mass: 384.51178
• Monoisotopic Mass: 384.24129289
• SMILES: N1(C(c2cnccc2)CCCC1)CCCCCOc1c(OC)cccc1OC
• Canonical SMILES: COc1cccc(c1OCCCCCN1CCCCC1c1cccnc1)OC
• InChI: InChI=1S/C23H32N2O3/c1-26-21-12-8-13-22(27-2)23(21)28-17-7-3-5-15-25-16-6-4-11-20(25)19-10-9-14-24-18-19/h8-10,12-14,18,20H,3-7,11,15-17H2,1-2H3
• InChIKey: BLBPHQYKPLLCEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{1-[5-(2,6-dimethoxyphenoxy)pentyl]piperidin-2-yl}pyridine
• IUPAC Traditional name: 3-{1-[5-(2,6-dimethoxyphenoxy)pentyl]piperidin-2-yl}pyridine

Database IDs

• PubChem SID: 164272887
• PubChem CID: 16407127

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.68492836
• LogD (pH = 7.4): 2.198644
• Log P: 3.9577014
• Molar Refractivity: 111.8456 cm^3
• Polarizability: 43.95309 Å^3
• Polar Surface Area: 43.82 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds