5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylaniline

• ChemBase ID: 260427
• Molecular Formular: C15H22N2O
• Molecular Mass: 246.34798
• Monoisotopic Mass: 246.17321333
• SMILES: N1(C(=O)c2cc(c(cc2)C)N)CC(CC(C1)C)C
• Canonical SMILES: CC1CC(C)CN(C1)C(=O)c1ccc(c(c1)N)C
• InChI: InChI=1S/C15H22N2O/c1-10-6-11(2)9-17(8-10)15(18)13-5-4-12(3)14(16)7-13/h4-5,7,10-11H,6,8-9,16H2,1-3H3
• InChIKey: VHAPCOSHZCMPRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylaniline
• IUPAC Traditional name: 5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylaniline
• Synonyms: 5-[(3,5-dimethylpiperidin-1-yl)carbonyl]-2-methylaniline

Database IDs

• MDL Number: MFCD09737230
• PubChem SID: 164316337
• PubChem CID: 16790446

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5338604
• LogD (pH = 7.4): 2.536018
• Log P: 2.5360456
• Molar Refractivity: 75.7566 cm^3
• Polarizability: 28.226982 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 154 - 156°C
• Hydrophobicity(logP): 2.57

Product Information

• Purity: 95%