6-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile

• ChemBase ID: 269237
• Molecular Formular: C11H14N4
• Molecular Mass: 202.25566
• Monoisotopic Mass: 202.12184647
• SMILES: N1(c2ncc(C#N)cc2)CCC(CC1)N
• Canonical SMILES: N#Cc1ccc(nc1)N1CCC(CC1)N
• InChI: InChI=1S/C11H14N4/c12-7-9-1-2-11(14-8-9)15-5-3-10(13)4-6-15/h1-2,8,10H,3-6,13H2
• InChIKey: YCJMDLIMUBMVRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile
• IUPAC Traditional name: 6-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile
• Synonyms: 6-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile

Database IDs

• MDL Number: MFCD12137464
• PubChem SID: 164325147
• PubChem CID: 18768671

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.4945812
• LogD (pH = 7.4): -1.9599048
• Log P: 0.5253488
• Molar Refractivity: 59.7466 cm^3
• Polarizability: 22.404163 Å^3
• Polar Surface Area: 65.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 70 - 72°C
• Hydrophobicity(logP): -0.325

Product Information

• Purity: 95%