{[1-(2-methoxyethyl)piperidin-3-yl]methyl}(methyl)amine

• ChemBase ID: 306942
• Molecular Formular: C10H22N2O
• Molecular Mass: 186.29448
• Monoisotopic Mass: 186.17321333
• SMILES: N1(CC(CNC)CCC1)CCOC
• Canonical SMILES: CNCC1CCCN(C1)CCOC
• InChI: InChI=1S/C10H22N2O/c1-11-8-10-4-3-5-12(9-10)6-7-13-2/h10-11H,3-9H2,1-2H3
• InChIKey: PJCPPFOHZHGUJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[1-(2-methoxyethyl)piperidin-3-yl]methyl}(methyl)amine
• IUPAC Traditional name: {[1-(2-methoxyethyl)piperidin-3-yl]methyl}(methyl)amine
• Synonyms: 1-[1-(2-methoxyethyl)piperidin-3-yl]-N-methylmethanamine

Database IDs

• CAS Number: 915923-94-3
• MDL Number: MFCD08691460

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.383362
• LogD (pH = 7.4): -3.3227
• Log P: 0.28910962
• Molar Refractivity: 55.9072 cm^3
• Polarizability: 22.168617 Å^3
• Polar Surface Area: 24.5 Å^2