3-{1-[4-(2,3-dihydro-1H-inden-5-yloxy)butyl]piperidin-2-yl}pyridine

• ChemBase ID: 217436
• Molecular Formular: C23H30N2O
• Molecular Mass: 350.4971
• Monoisotopic Mass: 350.23581359
• SMILES: N1(C(c2cnccc2)CCCC1)CCCCOc1cc2c(cc1)CCC2
• Canonical SMILES: C(COc1ccc2c(c1)CCC2)CCN1CCCCC1c1cccnc1
• InChI: InChI=1S/C23H30N2O/c1-2-14-25(23(10-1)21-9-6-13-24-18-21)15-3-4-16-26-22-12-11-19-7-5-8-20(19)17-22/h6,9,11-13,17-18,23H,1-5,7-8,10,14-16H2
• InChIKey: NCVHXFHVRZRTLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{1-[4-(2,3-dihydro-1H-inden-5-yloxy)butyl]piperidin-2-yl}pyridine
• IUPAC Traditional name: 3-{1-[4-(2,3-dihydro-1H-inden-5-yloxy)butyl]piperidin-2-yl}pyridine

Database IDs

• PubChem SID: 164273346
• PubChem CID: 16407472

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5817077
• LogD (pH = 7.4): 3.1189394
• Log P: 4.836161
• Molar Refractivity: 107.1994 cm^3
• Polarizability: 41.74482 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds