[2-(piperidin-2-yl)ethyl]bis(prop-2-en-1-yl)amine dihydrochloride

• ChemBase ID: 48071
• Molecular Formular: C13H26Cl2N2
• Molecular Mass: 281.26494
• Monoisotopic Mass: 280.1473042
• SMILES: N1C(CCN(CC=C)CC=C)CCCC1.Cl.Cl
• Canonical SMILES: C=CCN(CCC1CCCCN1)CC=C.Cl.Cl
• InChI: InChI=1S/C13H24N2.2ClH/c1-3-10-15(11-4-2)12-8-13-7-5-6-9-14-13;;/h3-4,13-14H,1-2,5-12H2;2*1H
• InChIKey: HFELWCNWMVOSCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(piperidin-2-yl)ethyl]bis(prop-2-en-1-yl)amine dihydrochloride
• IUPAC Traditional name: [2-(piperidin-2-yl)ethyl]bis(prop-2-en-1-yl)amine dihydrochloride
• Synonyms: N-Allyl-N-[2-(2-piperidinyl)ethyl]-2-propen-1-amine dihydrochloride

Database IDs

• MDL Number: MFCD13561613
• PubChem SID: 162052834
• PubChem CID: 53410814

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8111663
• LogD (pH = 7.4): -0.89018226
• Log P: 2.2583587
• Molar Refractivity: 67.7155 cm^3
• Polarizability: 26.580679 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false