ethyl({[4-(4-methoxypiperidin-1-yl)phenyl]methyl})amine

• ChemBase ID: 264892
• Molecular Formular: C15H24N2O
• Molecular Mass: 248.36386
• Monoisotopic Mass: 248.1888634
• SMILES: N1(c2ccc(cc2)CNCC)CCC(CC1)OC
• Canonical SMILES: CCNCc1ccc(cc1)N1CCC(CC1)OC
• InChI: InChI=1S/C15H24N2O/c1-3-16-12-13-4-6-14(7-5-13)17-10-8-15(18-2)9-11-17/h4-7,15-16H,3,8-12H2,1-2H3
• InChIKey: ATAZLXMCUDNBRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl({[4-(4-methoxypiperidin-1-yl)phenyl]methyl})amine
• IUPAC Traditional name: ethyl({[4-(4-methoxypiperidin-1-yl)phenyl]methyl})amine
• Synonyms: ethyl({[4-(4-methoxypiperidin-1-yl)phenyl]methyl})amine

Database IDs

• MDL Number: MFCD11978628
• PubChem SID: 164320802
• PubChem CID: 43373130

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.288897
• LogD (pH = 7.4): -0.46360993
• Log P: 1.9576325
• Molar Refractivity: 76.9587 cm^3
• Polarizability: 29.543919 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.506

Product Information

• Purity: 95%