N-(2-methoxyethyl)-1-methylpiperidin-4-amine dihydrochloride

• ChemBase ID: 24163
• Molecular Formular: C9H22Cl2N2O
• Molecular Mass: 245.18978
• Monoisotopic Mass: 244.11091869
• SMILES: C1(CCN(CC1)C)NCCOC.Cl.Cl
• Canonical SMILES: COCCNC1CCN(CC1)C.Cl.Cl
• InChI: InChI=1S/C9H20N2O.2ClH/c1-11-6-3-9(4-7-11)10-5-8-12-2;;/h9-10H,3-8H2,1-2H3;2*1H
• InChIKey: ZVTRYEGDZZHGOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-1-methylpiperidin-4-amine dihydrochloride
• IUPAC Traditional name: N-(2-methoxyethyl)-1-methylpiperidin-4-amine dihydrochloride
• Synonyms: (2-Methoxy-ethyl)-(1-methyl-piperidin-4-yl)-amine dihydrochloride

Database IDs

• MDL Number: MFCD09997677
• PubChem SID: 160987470
• PubChem CID: 46735999

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.3508644
• LogD (pH = 7.4): -3.074917
• Log P: -0.21304785
• Molar Refractivity: 51.188 cm^3
• Polarizability: 20.324642 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false