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

• ChemBase ID: 143979
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: CN1CCC(CC1)Oc1ccc(cc1)N
• Canonical SMILES: CN1CCC(CC1)Oc1ccc(cc1)N
• InChI: InChI=1S/C12H18N2O/c1-14-8-6-12(7-9-14)15-11-4-2-10(13)3-5-11/h2-5,12H,6-9,13H2,1H3
• InChIKey: CIVRCZPEYZHQDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 358789-72-7
• MDL Number: MFCD04970985
• PubChem SID: 162238196
• PubChem CID: 16765164

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0828738
• LogD (pH = 7.4): -0.2646598
• Log P: 1.0134547
• Molar Refractivity: 62.6727 cm^3
• Polarizability: 23.997046 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C12H18N2O

DETAILS

Sigma Aldrich - CBR00034

Other Notes
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