(piperidin-3-ylmethyl)dipropylamine dihydrochloride

• ChemBase ID: 47939
• Molecular Formular: C12H28Cl2N2
• Molecular Mass: 271.27012
• Monoisotopic Mass: 270.16295427
• SMILES: N1CC(CN(CCC)CCC)CCC1.Cl.Cl
• Canonical SMILES: CCCN(CC1CCCNC1)CCC.Cl.Cl
• InChI: InChI=1S/C12H26N2.2ClH/c1-3-8-14(9-4-2)11-12-6-5-7-13-10-12;;/h12-13H,3-11H2,1-2H3;2*1H
• InChIKey: ILDLZJXFZJQMIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (piperidin-3-ylmethyl)dipropylamine dihydrochloride
• IUPAC Traditional name: (piperidin-3-ylmethyl)dipropylamine dihydrochloride
• Synonyms: N-(3-Piperidinylmethyl)-N-propyl-1-propanamine dihydrochloride

Database IDs

• MDL Number: MFCD13561499
• PubChem SID: 162052702
• PubChem CID: 56831547

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.1698413
• LogD (pH = 7.4): -2.2925813
• Log P: 2.0947459
• Molar Refractivity: 63.4089 cm^3
• Polarizability: 25.197851 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false