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

• ChemBase ID: 306946
• Molecular Formular: C10H22N2O
• Molecular Mass: 186.29448
• Monoisotopic Mass: 186.17321333
• SMILES: N1(CCC(CC1)CNC)CCOC
• Canonical SMILES: CNCC1CCN(CC1)CCOC
• InChI: InChI=1S/C10H22N2O/c1-11-9-10-3-5-12(6-4-10)7-8-13-2/h10-11H,3-9H2,1-2H3
• InChIKey: NNSYLBINUCUDMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[1-(2-methoxyethyl)piperidin-4-yl]methyl}(methyl)amine
• IUPAC Traditional name: {[1-(2-methoxyethyl)piperidin-4-yl]methyl}(methyl)amine
• Synonyms: 1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methylmethanamine

Database IDs

• CAS Number: 938458-98-1
• MDL Number: MFCD09055269

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.2776165
• LogD (pH = 7.4): -4.5022707
• Log P: 0.2475529
• Molar Refractivity: 56.006 cm^3
• Polarizability: 22.168617 Å^3
• Polar Surface Area: 24.5 Å^2