3-(piperidin-4-ylmethyl)pyridine

• ChemBase ID: 245202
• Molecular Formular: C11H16N2
• Molecular Mass: 176.25814
• Monoisotopic Mass: 176.13134852
• SMILES: N1CCC(Cc2cnccc2)CC1
• Canonical SMILES: N1CCC(CC1)Cc1cccnc1
• InChI: InChI=1S/C11H16N2/c1-2-11(9-13-5-1)8-10-3-6-12-7-4-10/h1-2,5,9-10,12H,3-4,6-8H2
• InChIKey: KKZYSWQNXOXYBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(piperidin-4-ylmethyl)pyridine
• IUPAC Traditional name: 3-(piperidin-4-ylmethyl)pyridine
• Synonyms: 3-(piperidin-4-ylmethyl)pyridine

Database IDs

• MDL Number: MFCD17171218
• PubChem SID: 164301112
• PubChem CID: 3793220

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2039444
• LogD (pH = 7.4): -1.4748634
• Log P: 1.305207
• Molar Refractivity: 53.9231 cm^3
• Polarizability: 21.22012 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.375

Product Information

• Purity: 95%