4-(piperidin-1-yl)pyridine

• ChemBase ID: 68004
• Molecular Formular: C10H14N2
• Molecular Mass: 162.23156
• Monoisotopic Mass: 162.11569846
• SMILES: N1(CCCCC1)c1ccncc1
• Canonical SMILES: C1CCN(CC1)c1ccncc1
• InChI: InChI=1S/C10H14N2/c1-2-8-12(9-3-1)10-4-6-11-7-5-10/h4-7H,1-3,8-9H2
• InChIKey: MTPBUCCXRGSDCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-1-yl)pyridine
• IUPAC Traditional name: 4-(piperidin-1-yl)pyridine
• Synonyms: (1-Pyridin-4-yl)piperidine

Database IDs

• CAS Number: 2767-90-0
• MDL Number: MFCD00006476
• PubChem SID: 162033736
• PubChem CID: 76002

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.73093045
• LogD (pH = 7.4): 0.8730386
• Log P: 1.7139834
• Molar Refractivity: 50.4717 cm^3
• Polarizability: 19.05086 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%