4-(piperidin-4-yl)pyridine dihydrochloride

• ChemBase ID: 144056
• Molecular Formular: C10H16Cl2N2
• Molecular Mass: 235.15344
• Monoisotopic Mass: 234.06905388
• SMILES: c1cnccc1C1CCNCC1.Cl.Cl
• Canonical SMILES: N1CCC(CC1)c1ccncc1.Cl.Cl
• InChI: InChI=1S/C10H14N2.2ClH/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;;/h1-2,5-6,10,12H,3-4,7-8H2;2*1H
• InChIKey: VHWFTCWXAYODSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-4-yl)pyridine dihydrochloride
• IUPAC Traditional name: 4-(piperidin-4-yl)pyridine dihydrochloride
• Synonyms: 4-Piperidin-4-ylpyridine dihydrochloride

Database IDs

• MDL Number: MFCD04117756
• PubChem SID: 162238273
• PubChem CID: 22100875

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6300845
• LogD (pH = 7.4): -1.6863927
• Log P: 0.8606383
• Molar Refractivity: 49.3221 cm^3
• Polarizability: 19.371668 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C10H16Cl2N2

DETAILS

Sigma Aldrich - CBR00621

Other Notes
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