[2-(piperidin-2-yl)ethyl]dipropylamine dihydrochloride

• ChemBase ID: 48080
• Molecular Formular: C13H30Cl2N2
• Molecular Mass: 285.2967
• Monoisotopic Mass: 284.17860433
• SMILES: N1C(CCN(CCC)CCC)CCCC1.Cl.Cl
• Canonical SMILES: CCCN(CCC1CCCCN1)CCC.Cl.Cl
• InChI: InChI=1S/C13H28N2.2ClH/c1-3-10-15(11-4-2)12-8-13-7-5-6-9-14-13;;/h13-14H,3-12H2,1-2H3;2*1H
• InChIKey: VFQKSPHFAPCFJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(piperidin-2-yl)ethyl]dipropylamine dihydrochloride
• IUPAC Traditional name: [2-(piperidin-2-yl)ethyl]dipropylamine dihydrochloride
• Synonyms: N-[2-(2-Piperidinyl)ethyl]-N-propyl-1-propanamine dihydrochloride

Database IDs

• MDL Number: MFCD13561622
• PubChem SID: 162052843
• PubChem CID: 56831643

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.656992
• LogD (pH = 7.4): -1.7127265
• Log P: 2.5545197
• Molar Refractivity: 67.9353 cm^3
• Polarizability: 27.04461 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