3-(piperidin-4-yl)pyridine

• ChemBase ID: 244424
• Molecular Formular: C10H14N2
• Molecular Mass: 162.23156
• Monoisotopic Mass: 162.11569846
• SMILES: N1CCC(c2cnccc2)CC1
• Canonical SMILES: N1CCC(CC1)c1cccnc1
• InChI: InChI=1S/C10H14N2/c1-2-10(8-12-5-1)9-3-6-11-7-4-9/h1-2,5,8-9,11H,3-4,6-7H2
• InChIKey: BRBPGGIIQVBPSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD05189896
• PubChem SID: 164300334
• PubChem CID: 4690390

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.579161
• LogD (pH = 7.4): -1.6667645
• Log P: 0.8606383
• Molar Refractivity: 49.3221 cm^3
• Polarizability: 19.37309 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.846

Product Information

• Purity: 95%