6-(piperidin-1-yl)pyridine-2-carbaldehyde

• ChemBase ID: 92859
• Molecular Formular: C11H14N2O
• Molecular Mass: 190.24166
• Monoisotopic Mass: 190.11061308
• SMILES: n1c(cccc1N1CCCCC1)C=O
• Canonical SMILES: O=Cc1cccc(n1)N1CCCCC1
• InChI: InChI=1S/C11H14N2O/c14-9-10-5-4-6-11(12-10)13-7-2-1-3-8-13/h4-6,9H,1-3,7-8H2
• InChIKey: CFKVMXWXARUDQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(piperidin-1-yl)pyridine-2-carbaldehyde
• IUPAC Traditional name: 6-(piperidin-1-yl)pyridine-2-carbaldehyde
• Synonyms: 6-piperidinopyridine-2-carbaldehyde; 2-Formyl-6-(piperidin-1-yl)pyridine; 6-(Piperidin-1-yl)pyridine-2-carboxaldehyde 97%

Database IDs

• CAS Number: 859850-71-8
• MDL Number: MFCD08543443
• PubChem SID: 162079557
• PubChem CID: 18525732

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6047027
• LogD (pH = 7.4): 2.6942139
• Log P: 2.6954863
• Molar Refractivity: 56.984 cm^3
• Polarizability: 20.946178 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic/Harmful

Product Information

• Purity: 97%