1-benzyl-2,3,5,6-tetramethylpiperidin-4-amine

• ChemBase ID: 275559
• Molecular Formular: C16H26N2
• Molecular Mass: 246.39104
• Monoisotopic Mass: 246.20959884
• SMILES: N1(C(C(C(C(C1C)C)N)C)C)Cc1ccccc1
• Canonical SMILES: CC1N(Cc2ccccc2)C(C)C(C(C1C)N)C
• InChI: InChI=1S/C16H26N2/c1-11-13(3)18(14(4)12(2)16(11)17)10-15-8-6-5-7-9-15/h5-9,11-14,16H,10,17H2,1-4H3
• InChIKey: ZOZDGKPSUAGAMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-2,3,5,6-tetramethylpiperidin-4-amine
• IUPAC Traditional name: 1-benzyl-2,3,5,6-tetramethylpiperidin-4-amine
• Synonyms: 1-benzyl-2,3,5,6-tetramethylpiperidin-4-amine

Database IDs

• MDL Number: MFCD19381884
• PubChem SID: 164331469
• PubChem CID: 54593730

CALCULATED PROPERTIES

• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9659317
• LogD (pH = 7.4): -1.0186472
• Log P: 2.9176176
• Molar Refractivity: 77.6529 cm^3
• Polarizability: 31.14133 Å^3
• Polar Surface Area: 29.26 Å^2

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.258

Product Information

• Purity: 95%