1-(6-methylpyridin-2-yl)piperidin-4-amine

• ChemBase ID: 276081
• Molecular Formular: C11H17N3
• Molecular Mass: 191.27278
• Monoisotopic Mass: 191.14224756
• SMILES: N1(c2nc(ccc2)C)CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)c1cccc(n1)C
• InChI: InChI=1S/C11H17N3/c1-9-3-2-4-11(13-9)14-7-5-10(12)6-8-14/h2-4,10H,5-8,12H2,1H3
• InChIKey: NDXJCHPRFGILTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(6-methylpyridin-2-yl)piperidin-4-amine
• IUPAC Traditional name: 1-(6-methylpyridin-2-yl)piperidin-4-amine
• Synonyms: 1-(6-methylpyridin-2-yl)piperidin-4-amine

Database IDs

• MDL Number: MFCD12763535
• PubChem SID: 164331991
• PubChem CID: 12760110

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.7451446
• LogD (pH = 7.4): -1.8997638
• Log P: 0.80062276
• Molar Refractivity: 58.6165 cm^3
• Polarizability: 22.345732 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.544

Product Information

• Purity: 95%