2-(2,6-dimethylpiperidine-1-carbonyl)aniline

• ChemBase ID: 311830
• Molecular Formular: C14H20N2O
• Molecular Mass: 232.3214
• Monoisotopic Mass: 232.15756327
• SMILES: C(=O)(N1C(CCCC1C)C)c1c(N)cccc1
• Canonical SMILES: CC1CCCC(N1C(=O)c1ccccc1N)C
• InChI: InChI=1S/C14H20N2O/c1-10-6-5-7-11(2)16(10)14(17)12-8-3-4-9-13(12)15/h3-4,8-11H,5-7,15H2,1-2H3
• InChIKey: ZNDUKWZNBHOKHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6-dimethylpiperidine-1-carbonyl)aniline
• IUPAC Traditional name: 2-(2,6-dimethylpiperidine-1-carbonyl)aniline
• Synonyms: 2-[(2,6-dimethyl-1-piperidinyl)carbonyl]aniline

Database IDs

• CAS Number: 345990-94-5
• MDL Number: MFCD02018962

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.774799
• LogD (pH = 7.4): 2.7758155
• Log P: 2.7758284
• Molar Refractivity: 70.6098 cm^3
• Polarizability: 26.462715 Å^3
• Polar Surface Area: 46.33 Å^2