1-(dimethoxy-1,3,5-triazin-2-yl)piperidin-4-amine

• ChemBase ID: 57260
• Molecular Formular: C10H17N5O2
• Molecular Mass: 239.27428
• Monoisotopic Mass: 239.13822481
• SMILES: c1(nc(nc(n1)OC)OC)N1CCC(CC1)N
• Canonical SMILES: COc1nc(nc(n1)OC)N1CCC(CC1)N
• InChI: InChI=1S/C10H17N5O2/c1-16-9-12-8(13-10(14-9)17-2)15-5-3-7(11)4-6-15/h7H,3-6,11H2,1-2H3
• InChIKey: JNJTZBMFPMPDJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(dimethoxy-1,3,5-triazin-2-yl)piperidin-4-amine
• IUPAC Traditional name: 1-(dimethoxy-1,3,5-triazin-2-yl)piperidin-4-amine
• Synonyms: 1-(4,6-Dimethoxy-1,3,5-triazin-2-yl)piperidin-4-amine

Database IDs

• MDL Number: MFCD12198095
• PubChem SID: 162062023
• PubChem CID: 46779830

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): -2.1235476
• LogD (pH = 7.4): -1.5892402
• Log P: 0.8959692
• Molar Refractivity: 65.0964 cm^3
• Polarizability: 23.907825 Å^3
• Polar Surface Area: 86.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false