1-benzyl-2,3,5-trimethylpiperidin-4-amine

• ChemBase ID: 275561
• Molecular Formular: C15H24N2
• Molecular Mass: 232.36446
• Monoisotopic Mass: 232.19394878
• SMILES: N1(C(C(C(C(C1)C)N)C)C)Cc1ccccc1
• Canonical SMILES: CC1CN(Cc2ccccc2)C(C(C1N)C)C
• InChI: InChI=1S/C15H24N2/c1-11-9-17(13(3)12(2)15(11)16)10-14-7-5-4-6-8-14/h4-8,11-13,15H,9-10,16H2,1-3H3
• InChIKey: CNGGMQNYSIBNDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19381886
• PubChem SID: 164331471
• PubChem CID: 54593732

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.6811554
• LogD (pH = 7.4): -1.8144695
• Log P: 2.5010426
• Molar Refractivity: 73.2341 cm^3
• Polarizability: 29.294323 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.739

Product Information

• Purity: 95%