3-(1-benzylpiperidin-2-yl)pyridine

• ChemBase ID: 189894
• Molecular Formular: C17H20N2
• Molecular Mass: 252.3541
• Monoisotopic Mass: 252.16264865
• SMILES: N1(C(c2cnccc2)CCCC1)Cc1ccccc1
• Canonical SMILES: c1ccc(cc1)CN1CCCCC1c1cccnc1
• InChI: InChI=1S/C17H20N2/c1-2-7-15(8-3-1)14-19-12-5-4-10-17(19)16-9-6-11-18-13-16/h1-3,6-9,11,13,17H,4-5,10,12,14H2
• InChIKey: CZSIMASWFULERI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-benzylpiperidin-2-yl)pyridine
• IUPAC Traditional name: 3-(1-benzylpiperidin-2-yl)pyridine

Database IDs

• PubChem SID: 164245804
• PubChem CID: 3849181

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.28258803
• LogD (pH = 7.4): 1.9777476
• Log P: 3.3315766
• Molar Refractivity: 78.8686 cm^3
• Polarizability: 30.929981 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds