2-methoxy-5-(piperidin-1-yl)aniline

• ChemBase ID: 124266
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: N1(c2cc(c(cc2)OC)N)CCCCC1
• Canonical SMILES: COc1ccc(cc1N)N1CCCCC1
• InChI: InChI=1S/C12H18N2O/c1-15-12-6-5-10(9-11(12)13)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8,13H2,1H3
• InChIKey: RFTXPGFOKHADON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-(piperidin-1-yl)aniline
• IUPAC Traditional name: 2-methoxy-5-(piperidin-1-yl)aniline
• Synonyms: 2-methoxy-5-(piperidin-1-yl)aniline

Database IDs

• PubChem SID: 162218619
• PubChem CID: 30029958

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9985402
• LogD (pH = 7.4): 1.9038877
• Log P: 1.9450586
• Molar Refractivity: 63.7922 cm^3
• Polarizability: 23.60508 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true