1-(pyridin-2-yl)piperidin-4-amine

• ChemBase ID: 257985
• Molecular Formular: C10H15N3
• Molecular Mass: 177.2462
• Monoisotopic Mass: 177.1265975
• SMILES: N1(c2ncccc2)CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)c1ccccn1
• InChI: InChI=1S/C10H15N3/c11-9-4-7-13(8-5-9)10-3-1-2-6-12-10/h1-3,6,9H,4-5,7-8,11H2
• InChIKey: CZINLSYKXBADTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridin-2-yl)piperidin-4-amine
• IUPAC Traditional name: 1-(pyridin-2-yl)piperidin-4-amine
• Synonyms: (1-Pyridin-2-yl)piperidin-4-amine; 1-pyridin-2-ylpiperidin-4-amine

Database IDs

• CAS Number: 144465-94-1
• MDL Number: MFCD08061082
• PubChem SID: 164313895
• PubChem CID: 10197934

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.2343316
• LogD (pH = 7.4): -1.8603023
• Log P: 0.6692526
• Molar Refractivity: 54.025 cm^3
• Polarizability: 20.579117 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.565

Product Information

• Purity: 95%; 95+%