[1-(2-methoxyethyl)piperidin-3-yl]methanamine

• ChemBase ID: 306944
• Molecular Formular: C9H20N2O
• Molecular Mass: 172.2679
• Monoisotopic Mass: 172.15756327
• SMILES: N1(CC(CN)CCC1)CCOC
• Canonical SMILES: COCCN1CCCC(C1)CN
• InChI: InChI=1S/C9H20N2O/c1-12-6-5-11-4-2-3-9(7-10)8-11/h9H,2-8,10H2,1H3
• InChIKey: RNIOWKZBHNSSMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-methoxyethyl)piperidin-3-yl]methanamine
• IUPAC Traditional name: [1-(2-methoxyethyl)piperidin-3-yl]methanamine
• Synonyms: 1-[1-(2-methoxyethyl)piperidin-3-yl]methanamine

Database IDs

• CAS Number: 936940-49-7
• MDL Number: MFCD09864264

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.0300813
• LogD (pH = 7.4): -3.8724408
• Log P: -0.14347076
• Molar Refractivity: 51.1326 cm^3
• Polarizability: 20.324642 Å^3
• Polar Surface Area: 38.49 Å^2