2-bromo-6-(piperidin-4-ylmethoxy)pyridine hydrochloride

• ChemBase ID: 47404
• Molecular Formular: C11H16BrClN2O
• Molecular Mass: 307.61454
• Monoisotopic Mass: 306.01345282
• SMILES: n1c(OCC2CCNCC2)cccc1Br.Cl
• Canonical SMILES: Brc1cccc(n1)OCC1CCNCC1.Cl
• InChI: InChI=1S/C11H15BrN2O.ClH/c12-10-2-1-3-11(14-10)15-8-9-4-6-13-7-5-9;/h1-3,9,13H,4-8H2;1H
• InChIKey: SCKAPLIIVHEYGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-(piperidin-4-ylmethoxy)pyridine hydrochloride
• IUPAC Traditional name: 2-bromo-6-(piperidin-4-ylmethoxy)pyridine hydrochloride
• Synonyms: 2-Bromo-6-(4-piperidinylmethoxy)pyridine hydrochloride

Database IDs

• MDL Number: MFCD13561262
• PubChem SID: 162052167
• PubChem CID: 56831275

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.9604279
• LogD (pH = 7.4): -0.49965644
• Log P: 2.2709932
• Molar Refractivity: 64.1172 cm^3
• Polarizability: 24.79023 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false