6-methyl-N-(piperidin-4-yl)pyridin-2-amine

• ChemBase ID: 275622
• Molecular Formular: C11H17N3
• Molecular Mass: 191.27278
• Monoisotopic Mass: 191.14224756
• SMILES: n1c(NC2CCNCC2)cccc1C
• Canonical SMILES: Cc1cccc(n1)NC1CCNCC1
• InChI: InChI=1S/C11H17N3/c1-9-3-2-4-11(13-9)14-10-5-7-12-8-6-10/h2-4,10,12H,5-8H2,1H3,(H,13,14)
• InChIKey: ZFGJDAZNNXTNTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-N-(piperidin-4-yl)pyridin-2-amine
• IUPAC Traditional name: 6-methyl-N-(piperidin-4-yl)pyridin-2-amine
• Synonyms: 6-methyl-N-(piperidin-4-yl)pyridin-2-amine

Database IDs

• MDL Number: MFCD12763589
• PubChem SID: 164331532
• PubChem CID: 54593783

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.237839
• LogD (pH = 7.4): -2.1814196
• Log P: 0.5979374
• Molar Refractivity: 59.1563 cm^3
• Polarizability: 22.346292 Å^3
• Polar Surface Area: 36.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 85 - 87°C
• Hydrophobicity(logP): 1.227

Product Information

• Purity: 95%