[1-(pyridin-2-yl)piperidin-3-yl]methanamine

• ChemBase ID: 310353
• Molecular Formular: C11H17N3
• Molecular Mass: 191.27278
• Monoisotopic Mass: 191.14224756
• SMILES: N1(c2ncccc2)CC(CN)CCC1
• Canonical SMILES: NCC1CCCN(C1)c1ccccn1
• InChI: InChI=1S/C11H17N3/c12-8-10-4-3-7-14(9-10)11-5-1-2-6-13-11/h1-2,5-6,10H,3-4,7-9,12H2
• InChIKey: MJGYATLGOQZTND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(pyridin-2-yl)piperidin-3-yl]methanamine
• IUPAC Traditional name: [1-(pyridin-2-yl)piperidin-3-yl]methanamine
• Synonyms: 1-(1-pyridin-2-ylpiperidin-3-yl)methanamine

Database IDs

• CAS Number: 1202050-45-0
• MDL Number: MFCD11040532

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.7231476
• LogD (pH = 7.4): -1.2090673
• Log P: 1.1714101
• Molar Refractivity: 58.7442 cm^3
• Polarizability: 22.42389 Å^3
• Polar Surface Area: 42.15 Å^2