2-(piperidin-4-yloxy)aniline

• ChemBase ID: 282607
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: c1(OC2CCNCC2)c(N)cccc1
• Canonical SMILES: Nc1ccccc1OC1CCNCC1
• InChI: InChI=1S/C11H16N2O/c12-10-3-1-2-4-11(10)14-9-5-7-13-8-6-9/h1-4,9,13H,5-8,12H2
• InChIKey: HDTOZNFEGAFECD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-4-yloxy)aniline
• IUPAC Traditional name: 2-(piperidin-4-yloxy)aniline
• Synonyms: 2-(piperidin-4-yloxy)aniline

Database IDs

• MDL Number: MFCD18483350
• PubChem SID: 180668138
• PubChem CID: 21272576

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.6108215
• LogD (pH = 7.4): -1.7331154
• Log P: 0.6304068
• Molar Refractivity: 57.378 cm^3
• Polarizability: 22.154846 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.796

Product Information

• Purity: 95%