2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]piperidin-4-amine

• ChemBase ID: 13478
• Molecular Formular: C15H26N2O
• Molecular Mass: 250.37974
• Monoisotopic Mass: 250.20451346
• SMILES: C1(NCc2ccc(o2)C)CC(NC(C1)(C)C)(C)C
• Canonical SMILES: Cc1ccc(o1)CNC1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C15H26N2O/c1-11-6-7-13(18-11)10-16-12-8-14(2,3)17-15(4,5)9-12/h6-7,12,16-17H,8-10H2,1-5H3
• InChIKey: GFLXJBSGLVHAOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]piperidin-4-amine
• IUPAC Traditional name: 2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]piperidin-4-amine
• Synonyms: (5-Methyl-furan-2-ylmethyl)-(2,2,6,6-tetramethyl-piperidin-4-yl)-amine

Database IDs

• MDL Number: MFCD03725048
• PubChem SID: 160976785
• PubChem CID: 1082634

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.033267
• LogD (pH = 7.4): -1.275397
• Log P: 1.8294642
• Molar Refractivity: 75.117 cm^3
• Polarizability: 29.704826 Å^3
• Polar Surface Area: 37.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false