3-(piperidin-4-yloxy)aniline

• ChemBase ID: 274957
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: N1CCC(Oc2cc(N)ccc2)CC1
• Canonical SMILES: Nc1cccc(c1)OC1CCNCC1
• InChI: InChI=1S/C11H16N2O/c12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10/h1-3,8,10,13H,4-7,12H2
• InChIKey: PNNYQXOCKRCWRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(piperidin-4-yloxy)aniline
• IUPAC Traditional name: 3-(piperidin-4-yloxy)aniline
• Synonyms: 3-(piperidin-4-yloxy)aniline

Database IDs

• MDL Number: MFCD18839033
• PubChem SID: 164330867
• PubChem CID: 54593439

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.5909793
• LogD (pH = 7.4): -1.7328523
• Log P: 0.6304068
• Molar Refractivity: 57.378 cm^3
• Polarizability: 22.153881 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.616

Product Information

• Purity: 95%