2-(piperidin-4-yl)pyridine dihydrochloride

• ChemBase ID: 51514
• Molecular Formular: C10H16Cl2N2
• Molecular Mass: 235.15344
• Monoisotopic Mass: 234.06905388
• SMILES: n1c(C2CCNCC2)cccc1.Cl.Cl
• Canonical SMILES: N1CCC(CC1)c1ccccn1.Cl.Cl
• InChI: InChI=1S/C10H14N2.2ClH/c1-2-6-12-10(3-1)9-4-7-11-8-5-9;;/h1-3,6,9,11H,4-5,7-8H2;2*1H
• InChIKey: NXCFRWODOJQICL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-4-yl)pyridine dihydrochloride
• IUPAC Traditional name: 2-(piperidin-4-yl)pyridine dihydrochloride
• Synonyms: 2-(1 Lamda{2}-piperidin-4-yl)pyridin-4-yl dihydrochloride; 2-(Piperidin-4-yl)pyridine dihydrochloride

Database IDs

• CAS Number: 143924-45-2
• MDL Number: MFCD14583122
• PubChem SID: 162056277
• PubChem CID: 16094714

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2316983
• LogD (pH = 7.4): -1.5003276
• Log P: 0.99052143
• Molar Refractivity: 48.9242 cm^3
• Polarizability: 19.37373 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 258 - 261 °C; 258-261°C

Safety Information

• Storage Condition: Store under N2
• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%