6-(piperidin-1-yl)pyridin-3-amine

• ChemBase ID: 48318
• Molecular Formular: C10H15N3
• Molecular Mass: 177.2462
• Monoisotopic Mass: 177.1265975
• SMILES: c1(N2CCCCC2)ncc(N)cc1
• Canonical SMILES: Nc1ccc(nc1)N1CCCCC1
• InChI: InChI=1S/C10H15N3/c11-9-4-5-10(12-8-9)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7,11H2
• InChIKey: WONYQZCHGNGJRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(piperidin-1-yl)pyridin-3-amine
• IUPAC Traditional name: 6-(piperidin-1-yl)pyridin-3-amine
• Synonyms: 6-(1-Piperidinyl)-3-pyridinamine; 6-piperidin-1-ylpyridin-3-amine

Database IDs

• CAS Number: 55403-29-7
• MDL Number: MFCD06447399
• PubChem SID: 162053081
• PubChem CID: 10241353

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.32921758
• LogD (pH = 7.4): 1.3683317
• Log P: 1.479515
• Molar Refractivity: 55.4856 cm^3
• Polarizability: 20.186619 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.225

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%