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

• ChemBase ID: 275612
• Molecular Formular: C16H26N2
• Molecular Mass: 246.39104
• Monoisotopic Mass: 246.20959884
• SMILES: N1(C(C(C(C(C1C)C)C)N)C)Cc1ccccc1
• Canonical SMILES: CC1C(C)N(Cc2ccccc2)C(C(C1C)N)C
• InChI: InChI=1S/C16H26N2/c1-11-12(2)16(17)14(4)18(13(11)3)10-15-8-6-5-7-9-15/h5-9,11-14,16H,10,17H2,1-4H3
• InChIKey: XHQDHKBQLIGGBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19381934
• PubChem SID: 164331522
• PubChem CID: 54593775

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1853347
• LogD (pH = 7.4): 0.02972189
• Log P: 3.146319
• Molar Refractivity: 77.5425 cm^3
• Polarizability: 31.14133 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.068

Product Information

• Purity: 95%