2-[2-(piperidin-1-yl)ethyl]piperidine dihydrochloride

• ChemBase ID: 48066
• Molecular Formular: C12H26Cl2N2
• Molecular Mass: 269.25424
• Monoisotopic Mass: 268.1473042
• SMILES: N1(CCC2NCCCC2)CCCCC1.Cl.Cl
• Canonical SMILES: C1CCC(NC1)CCN1CCCCC1.Cl.Cl
• InChI: InChI=1S/C12H24N2.2ClH/c1-4-9-14(10-5-1)11-7-12-6-2-3-8-13-12;;/h12-13H,1-11H2;2*1H
• InChIKey: XURAXQFIEZFIRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(piperidin-1-yl)ethyl]piperidine dihydrochloride
• IUPAC Traditional name: 2-[2-(piperidin-1-yl)ethyl]piperidine dihydrochloride
• Synonyms: 1-[2-(2-Piperidinyl)ethyl]piperidine dihydrochloride

Database IDs

• MDL Number: MFCD01312102
• PubChem SID: 162052829
• PubChem CID: 2796903

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.3049245
• LogD (pH = 7.4): -2.209457
• Log P: 1.6462251
• Molar Refractivity: 61.5321 cm^3
• Polarizability: 24.457176 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false