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

• ChemBase ID: 101506
• Molecular Formular: C12H20N2O
• Molecular Mass: 208.3
• Monoisotopic Mass: 208.15756327
• SMILES: N1(Cc2occc2)CCC(CC1)CNC
• Canonical SMILES: CNCC1CCN(CC1)Cc1ccco1
• InChI: InChI=1S/C12H20N2O/c1-13-9-11-4-6-14(7-5-11)10-12-3-2-8-15-12/h2-3,8,11,13H,4-7,9-10H2,1H3
• InChIKey: LISJAFHYRUEIGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[1-(furan-2-ylmethyl)piperidin-4-yl]methyl}(methyl)amine
• IUPAC Traditional name: {[1-(furan-2-ylmethyl)piperidin-4-yl]methyl}(methyl)amine
• Synonyms: N-methyl-[1-(2-furylmethyl)piperid-4-yl]methylamine

Database IDs

• CAS Number: 934570-57-7
• MDL Number: MFCD09966159
• PubChem SID: 162087111
• PubChem CID: 42556092

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.1613264
• LogD (pH = 7.4): -3.162305
• Log P: 1.0792482
• Molar Refractivity: 61.966 cm^3
• Polarizability: 24.248806 Å^3
• Polar Surface Area: 28.41 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%