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

• ChemBase ID: 217201
• Molecular Formular: C22H28N2O
• Molecular Mass: 336.47052
• Monoisotopic Mass: 336.22016353
• SMILES: N1(C(c2cnccc2)CCCC1)CCCOc1cc2c(cc1)CCC2
• Canonical SMILES: C1CCN(C(C1)c1cccnc1)CCCOc1ccc2c(c1)CCC2
• InChI: InChI=1S/C22H28N2O/c1-2-13-24(22(9-1)20-8-4-12-23-17-20)14-5-15-25-21-11-10-18-6-3-7-19(18)16-21/h4,8,10-12,16-17,22H,1-3,5-7,9,13-15H2
• InChIKey: NOLGZYBMBYUYIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164273111
• PubChem CID: 16407303

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3071425
• LogD (pH = 7.4): 3.0185142
• Log P: 4.318798
• Molar Refractivity: 102.5548 cm^3
• Polarizability: 39.89893 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds