3-{1-[4-(2-methoxy-4-propylphenoxy)butyl]piperidin-2-yl}pyridine

• ChemBase ID: 217198
• Molecular Formular: C24H34N2O2
• Molecular Mass: 382.53896
• Monoisotopic Mass: 382.26202834
• SMILES: N1(C(c2cnccc2)CCCC1)CCCCOc1c(cc(cc1)CCC)OC
• Canonical SMILES: CCCc1ccc(c(c1)OC)OCCCCN1CCCCC1c1cccnc1
• InChI: InChI=1S/C24H34N2O2/c1-3-9-20-12-13-23(24(18-20)27-2)28-17-7-6-16-26-15-5-4-11-22(26)21-10-8-14-25-19-21/h8,10,12-14,18-19,22H,3-7,9,11,15-17H2,1-2H3
• InChIKey: QROSJJZDPVLDOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{1-[4-(2-methoxy-4-propylphenoxy)butyl]piperidin-2-yl}pyridine
• IUPAC Traditional name: 3-{1-[4-(2-methoxy-4-propylphenoxy)butyl]piperidin-2-yl}pyridine

Database IDs

• PubChem SID: 164273108
• PubChem CID: 16407302

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8308318
• LogD (pH = 7.4): 3.382159
• Log P: 5.073363
• Molar Refractivity: 115.0246 cm^3
• Polarizability: 45.057396 Å^3
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds