[6-(4-methylpiperidin-1-yl)pyridin-3-yl]methanamine

• ChemBase ID: 48569
• Molecular Formular: C12H19N3
• Molecular Mass: 205.29936
• Monoisotopic Mass: 205.15789762
• SMILES: N1(c2ncc(cc2)CN)CCC(CC1)C
• Canonical SMILES: NCc1ccc(nc1)N1CCC(CC1)C
• InChI: InChI=1S/C12H19N3/c1-10-4-6-15(7-5-10)12-3-2-11(8-13)9-14-12/h2-3,9-10H,4-8,13H2,1H3
• InChIKey: DZSHCTVBAXQSAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(4-methylpiperidin-1-yl)pyridin-3-yl]methanamine
• IUPAC Traditional name: [6-(4-methylpiperidin-1-yl)pyridin-3-yl]methanamine
• Synonyms: [6-(4-methylpiperidin-1-yl)pyridin-3-yl]methanamine; [6-(4-Methyl-1-piperidinyl)-3-pyridinyl]-methanamine

Database IDs

• MDL Number: MFCD09044322
• PubChem SID: 162053332
• PubChem CID: 16772012

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2783189
• LogD (pH = 7.4): -0.14305376
• Log P: 1.7212285
• Molar Refractivity: 63.8072 cm^3
• Polarizability: 24.264439 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.023

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%