(piperidin-2-ylmethyl)dipropylamine dihydrochloride

• ChemBase ID: 48194
• Molecular Formular: C12H28Cl2N2
• Molecular Mass: 271.27012
• Monoisotopic Mass: 270.16295427
• SMILES: N1C(CN(CCC)CCC)CCCC1.Cl.Cl
• Canonical SMILES: CCCN(CC1CCCCN1)CCC.Cl.Cl
• InChI: InChI=1S/C12H26N2.2ClH/c1-3-9-14(10-4-2)11-12-7-5-6-8-13-12;;/h12-13H,3-11H2,1-2H3;2*1H
• InChIKey: XACULDMTKGCEMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (piperidin-2-ylmethyl)dipropylamine dihydrochloride
• IUPAC Traditional name: (piperidin-2-ylmethyl)dipropylamine dihydrochloride
• Synonyms: N-(2-Piperidinylmethyl)-N-propyl-1-propanamine dihydrochloride

Database IDs

• MDL Number: MFCD13561734
• PubChem SID: 162052957
• PubChem CID: 56831755

CALCULATED PROPERTIES

• LogD (pH = 7.4): -0.28135115
• Log P: 2.49456
• Molar Refractivity: 63.0699 cm^3
• Polarizability: 25.197851 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6559519

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false