2-methyl-4-(4-methylpiperidine-1-carbonyl)aniline

• ChemBase ID: 260955
• Molecular Formular: C14H20N2O
• Molecular Mass: 232.3214
• Monoisotopic Mass: 232.15756327
• SMILES: C(=O)(N1CCC(CC1)C)c1cc(c(cc1)N)C
• Canonical SMILES: CC1CCN(CC1)C(=O)c1ccc(c(c1)C)N
• InChI: InChI=1S/C14H20N2O/c1-10-5-7-16(8-6-10)14(17)12-3-4-13(15)11(2)9-12/h3-4,9-10H,5-8,15H2,1-2H3
• InChIKey: ZMYYRHIGHWVZEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-4-(4-methylpiperidine-1-carbonyl)aniline
• IUPAC Traditional name: 2-methyl-4-(4-methylpiperidine-1-carbonyl)aniline
• Synonyms: 2-methyl-4-[(4-methylpiperidin-1-yl)carbonyl]aniline

Database IDs

• MDL Number: MFCD09043692
• PubChem SID: 164316865
• PubChem CID: 16771397

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0907679
• LogD (pH = 7.4): 2.0930893
• Log P: 2.093119
• Molar Refractivity: 71.362 cm^3
• Polarizability: 26.383135 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.051

Product Information

• Purity: 95%