[2-(4-methylpiperidin-1-yl)pyridin-3-yl]methanamine

• ChemBase ID: 48438
• Molecular Formular: C12H19N3
• Molecular Mass: 205.29936
• Monoisotopic Mass: 205.15789762
• SMILES: c1(N2CCC(CC2)C)c(CN)cccn1
• Canonical SMILES: NCc1cccnc1N1CCC(CC1)C
• InChI: InChI=1S/C12H19N3/c1-10-4-7-15(8-5-10)12-11(9-13)3-2-6-14-12/h2-3,6,10H,4-5,7-9,13H2,1H3
• InChIKey: RNLSPTLVVIGPMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(4-methylpiperidin-1-yl)pyridin-3-yl]methanamine
• IUPAC Traditional name: [2-(4-methylpiperidin-1-yl)pyridin-3-yl]methanamine
• Synonyms: [2-(4-Methyl-1-piperidinyl)-3-pyridinyl]-methanamine

Database IDs

• MDL Number: MFCD09734331
• PubChem SID: 162053201
• PubChem CID: 16787573

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1428908
• LogD (pH = 7.4): 0.3734159
• Log P: 1.7212285
• Molar Refractivity: 63.8072 cm^3
• Polarizability: 24.26466 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