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

• ChemBase ID: 48568
• Molecular Formular: C12H19N3
• Molecular Mass: 205.29936
• Monoisotopic Mass: 205.15789762
• SMILES: N1(c2ncc(cc2)CN)CC(CCC1)C
• Canonical SMILES: NCc1ccc(nc1)N1CCCC(C1)C
• InChI: InChI=1S/C12H19N3/c1-10-3-2-6-15(9-10)12-5-4-11(7-13)8-14-12/h4-5,8,10H,2-3,6-7,9,13H2,1H3
• InChIKey: UJKIIDCDVROYAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09043008
• PubChem SID: 162053331
• PubChem CID: 16770721

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2001487
• LogD (pH = 7.4): -0.06501141
• Log P: 1.7991822
• Molar Refractivity: 63.7302 cm^3
• Polarizability: 24.26443 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false