2-(piperidin-3-yl)pyridine dihydrochloride

• ChemBase ID: 62567
• Molecular Formular: C10H16Cl2N2
• Molecular Mass: 235.15344
• Monoisotopic Mass: 234.06905388
• SMILES: n1c(C2CNCCC2)cccc1.Cl.Cl
• Canonical SMILES: C1CCC(CN1)c1ccccn1.Cl.Cl
• InChI: InChI=1S/C10H14N2.2ClH/c1-2-7-12-10(5-1)9-4-3-6-11-8-9;;/h1-2,5,7,9,11H,3-4,6,8H2;2*1H
• InChIKey: PLUYLODTLVNANT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-3-yl)pyridine dihydrochloride
• IUPAC Traditional name: 2-(piperidin-3-yl)pyridine dihydrochloride
• Synonyms: 1',2',3',4',5',6'-Hexahydro-[2,3']bipyridinyl dihydrochloride

Database IDs

• MDL Number: MFCD14583121
• PubChem SID: 162028306
• PubChem CID: 71298761

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0601287
• LogD (pH = 7.4): -1.1392695
• Log P: 1.146429
• Molar Refractivity: 48.7702 cm^3
• Polarizability: 19.373196 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false