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

• ChemBase ID: 311843
• Molecular Formular: C13H18N2O
• Molecular Mass: 218.29482
• Monoisotopic Mass: 218.14191321
• SMILES: C(=O)(N1C(C)CCCC1)c1c(N)cccc1
• Canonical SMILES: CC1CCCCN1C(=O)c1ccccc1N
• InChI: InChI=1S/C13H18N2O/c1-10-6-4-5-9-15(10)13(16)11-7-2-3-8-12(11)14/h2-3,7-8,10H,4-6,9,14H2,1H3
• InChIKey: OGPFNQSIZKVIEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 159180-70-8
• MDL Number: MFCD01896122

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3582535
• LogD (pH = 7.4): 2.3592408
• Log P: 2.3592534
• Molar Refractivity: 66.191 cm^3
• Polarizability: 24.61992 Å^3
• Polar Surface Area: 46.33 Å^2