{[1-(2-methoxyethyl)piperidin-4-yl]methyl}(oxolan-2-ylmethyl)amine dihydrochloride

• ChemBase ID: 15835
• Molecular Formular: C14H30Cl2N2O2
• Molecular Mass: 329.3062
• Monoisotopic Mass: 328.16843357
• SMILES: C1(CCN(CC1)CCOC)CNCC1OCCC1.Cl.Cl
• Canonical SMILES: COCCN1CCC(CC1)CNCC1CCCO1.Cl.Cl
• InChI: InChI=1S/C14H28N2O2.2ClH/c1-17-10-8-16-6-4-13(5-7-16)11-15-12-14-3-2-9-18-14;;/h13-15H,2-12H2,1H3;2*1H
• InChIKey: XLJMVHHETOGDKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[1-(2-methoxyethyl)piperidin-4-yl]methyl}(oxolan-2-ylmethyl)amine dihydrochloride
• IUPAC Traditional name: {[1-(2-methoxyethyl)piperidin-4-yl]methyl}(oxolan-2-ylmethyl)amine dihydrochloride
• Synonyms: {[1-(2-Methoxyethyl)piperidin-4-yl]methyl}(tetrahy -drofuran-2-ylmethyl)amine dihydrochloride

Database IDs

• MDL Number: MFCD06800924
• PubChem SID: 160979142
• PubChem CID: 45075079

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -5.851722
• LogD (pH = 7.4): -3.8581274
• Log P: 0.6661419
• Molar Refractivity: 74.2607 cm^3
• Polarizability: 29.49409 Å^3
• Polar Surface Area: 33.73 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false