4-(4-methoxypiperidin-1-yl)aniline

• ChemBase ID: 118471
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: N1(c2ccc(N)cc2)CCC(CC1)OC
• Canonical SMILES: COC1CCN(CC1)c1ccc(cc1)N
• InChI: InChI=1S/C12H18N2O/c1-15-12-6-8-14(9-7-12)11-4-2-10(13)3-5-11/h2-5,12H,6-9,13H2,1H3
• InChIKey: KDSGFDGTUWELFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methoxypiperidin-1-yl)aniline
• IUPAC Traditional name: 4-(4-methoxypiperidin-1-yl)aniline
• Synonyms: [4-(4-methoxypiperidin-1-yl)phenyl]amine

Database IDs

• MDL Number: MFCD10034078
• PubChem SID: 162102597
• PubChem CID: 28803431

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.035368E-4
• LogD (pH = 7.4): 1.1352254
• Log P: 1.2135499
• Molar Refractivity: 63.6625 cm^3
• Polarizability: 23.620363 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.72

Product Information

• Purity: 95+%