1-[1-(2-methoxyethyl)piperidin-3-yl]ethan-1-amine dihydrochloride

• ChemBase ID: 247690
• Molecular Formular: C10H24Cl2N2O
• Molecular Mass: 259.21636
• Monoisotopic Mass: 258.12656876
• SMILES: N1(CC(C(N)C)CCC1)CCOC.Cl.Cl
• Canonical SMILES: COCCN1CCCC(C1)C(N)C.Cl.Cl
• InChI: InChI=1S/C10H22N2O.2ClH/c1-9(11)10-4-3-5-12(8-10)6-7-13-2;;/h9-10H,3-8,11H2,1-2H3;2*1H
• InChIKey: DGTRQYPVQAJVBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(2-methoxyethyl)piperidin-3-yl]ethan-1-amine dihydrochloride
• IUPAC Traditional name: 1-[1-(2-methoxyethyl)piperidin-3-yl]ethanamine dihydrochloride
• Synonyms: 1-[1-(2-methoxyethyl)piperidin-3-yl]ethan-1-amine dihydrochloride

Database IDs

• PubChem SID: 164303600
• PubChem CID: 71758282

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.714919
• LogD (pH = 7.4): -3.7013197
• Log P: 0.27310425
• Molar Refractivity: 55.5514 cm^3
• Polarizability: 22.168617 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.066

Product Information

• Purity: 95%