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

• ChemBase ID: 92208
• Molecular Formular: C11H17N3
• Molecular Mass: 191.27278
• Monoisotopic Mass: 191.14224756
• SMILES: n1c(cccc1N1CCCCC1)CN
• Canonical SMILES: NCc1cccc(n1)N1CCCCC1
• InChI: InChI=1S/C11H17N3/c12-9-10-5-4-6-11(13-10)14-7-2-1-3-8-14/h4-6H,1-3,7-9,12H2
• InChIKey: AMSLKMQNMJEDRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(piperidin-1-yl)pyridin-2-yl]methanamine
• IUPAC Traditional name: [6-(piperidin-1-yl)pyridin-2-yl]methanamine
• Synonyms: (6-piperidinopyrid-2-yl)methylamine; [6-(Piperidin-1-yl)pyridin-2-yl]methylamine; 2-(Aminomethyl)-6-(piperidin-1-yl)pyridine 97%

Database IDs

• CAS Number: 868755-51-5
• MDL Number: MFCD08690243
• PubChem SID: 162078906
• PubChem CID: 18525734

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2645904
• LogD (pH = 7.4): 0.28416222
• Log P: 1.5156813
• Molar Refractivity: 58.7364 cm^3
• Polarizability: 22.420172 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 92°C

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%