2-[(1-methylpiperidin-4-yl)oxy]aniline

• ChemBase ID: 34491
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: c1cc(c(cc1)N)OC1CCN(CC1)C
• Canonical SMILES: CN1CCC(CC1)Oc1ccccc1N
• InChI: InChI=1S/C12H18N2O/c1-14-8-6-10(7-9-14)15-12-5-3-2-4-11(12)13/h2-5,10H,6-9,13H2,1H3
• InChIKey: BSAURXAWMKQULY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-methylpiperidin-4-yl)oxy]aniline
• IUPAC Traditional name: 2-[(1-methylpiperidin-4-yl)oxy]aniline
• Synonyms: 2-[(1-Methylpiperidin-4-yl)oxy]aniline

Database IDs

• CAS Number: 869943-62-4
• MDL Number: MFCD04970986
• PubChem SID: 160997798
• PubChem CID: 16765165

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9677727
• LogD (pH = 7.4): -0.21457464
• Log P: 1.0134547
• Molar Refractivity: 62.6727 cm^3
• Polarizability: 23.99922 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false