(piperidin-4-ylmethyl)dipropylamine dihydrochloride

• ChemBase ID: 47968
• Molecular Formular: C12H28Cl2N2
• Molecular Mass: 271.27012
• Monoisotopic Mass: 270.16295427
• SMILES: N1CCC(CN(CCC)CCC)CC1.Cl.Cl
• Canonical SMILES: CCCN(CC1CCNCC1)CCC.Cl.Cl
• InChI: InChI=1S/C12H26N2.2ClH/c1-3-9-14(10-4-2)11-12-5-7-13-8-6-12;;/h12-13H,3-11H2,1-2H3;2*1H
• InChIKey: WSVZSFXHPLMGSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (piperidin-4-ylmethyl)dipropylamine dihydrochloride
• IUPAC Traditional name: (piperidin-4-ylmethyl)dipropylamine dihydrochloride
• Synonyms: N-(4-Piperidinylmethyl)-N-propyl-1-propanamine dihydrochloride

Database IDs

• MDL Number: MFCD13561525
• PubChem SID: 162052731
• PubChem CID: 56831570

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.6754704
• LogD (pH = 7.4): -3.9838598
• Log P: 2.053189
• Molar Refractivity: 63.5077 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