1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-N-methylpiperidin-4-amine

• ChemBase ID: 270222
• Molecular Formular: C15H25N3O
• Molecular Mass: 263.3785
• Monoisotopic Mass: 263.19976244
• SMILES: c1(c(ncc(c1OC)C)CN1CCC(CC1)NC)C
• Canonical SMILES: CNC1CCN(CC1)Cc1ncc(c(c1C)OC)C
• InChI: InChI=1S/C15H25N3O/c1-11-9-17-14(12(2)15(11)19-4)10-18-7-5-13(16-3)6-8-18/h9,13,16H,5-8,10H2,1-4H3
• InChIKey: PMMDMECGQPSSJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-N-methylpiperidin-4-amine
• IUPAC Traditional name: 1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-N-methylpiperidin-4-amine
• Synonyms: 1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-N-methylpiperidin-4-amine

Database IDs

• MDL Number: MFCD12605853
• PubChem SID: 164326132
• PubChem CID: 50989056

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.975914
• LogD (pH = 7.4): -1.6874577
• Log P: 1.2913717
• Molar Refractivity: 78.6236 cm^3
• Polarizability: 30.695 Å^3
• Polar Surface Area: 37.39 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.199

Product Information

• Purity: 95%