[2-(piperidin-1-yl)pyridin-4-yl]methanamine

• ChemBase ID: 92212
• Molecular Formular: C11H17N3
• Molecular Mass: 191.27278
• Monoisotopic Mass: 191.14224756
• SMILES: n1ccc(cc1N1CCCCC1)CN
• Canonical SMILES: NCc1ccnc(c1)N1CCCCC1
• InChI: InChI=1S/C11H17N3/c12-9-10-4-5-13-11(8-10)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,9,12H2
• InChIKey: APBVSDZLGYOBBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(piperidin-1-yl)pyridin-4-yl]methanamine
• IUPAC Traditional name: [2-(piperidin-1-yl)pyridin-4-yl]methanamine
• Synonyms: (2-piperidinopyrid-4-yl)methylamine; 4-Aminomethyl-2-piperidin-1-ylpyridine; 1-(2-Piperidin-1-ylpyridin-4-yl)methylamine 97%; [2-(piperidin-1-yl)pyridin-4-yl]methanamine

Database IDs

• CAS Number: 876316-37-9
• MDL Number: MFCD08690284
• PubChem SID: 162078910
• PubChem CID: 16228881

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.576912
• LogD (pH = 7.4): -0.5159381
• Log P: 1.4342093
• Molar Refractivity: 59.2586 cm^3
• Polarizability: 22.419107 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.504

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 95%; 97%