2-methoxy-5-(piperidine-1-carbonyl)aniline

• ChemBase ID: 121265
• Molecular Formular: C13H18N2O2
• Molecular Mass: 234.29422
• Monoisotopic Mass: 234.13682783
• SMILES: C(=O)(N1CCCCC1)c1cc(c(cc1)OC)N
• Canonical SMILES: COc1ccc(cc1N)C(=O)N1CCCCC1
• InChI: InChI=1S/C13H18N2O2/c1-17-12-6-5-10(9-11(12)14)13(16)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8,14H2,1H3
• InChIKey: SNBNIWWZWNENGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-(piperidine-1-carbonyl)aniline
• IUPAC Traditional name: 2-methoxy-5-(piperidine-1-carbonyl)aniline
• Synonyms: (3-amino-4-methoxyphenyl)(piperidin-1-yl)methanone

Database IDs

• PubChem SID: 162215618
• PubChem CID: 16781775

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1324569
• LogD (pH = 7.4): 1.134975
• Log P: 1.1350071
• Molar Refractivity: 68.2354 cm^3
• Polarizability: 25.300201 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true