1-(6-methylpyrimidin-4-yl)piperidin-4-amine dihydrochloride

• ChemBase ID: 235686
• Molecular Formular: C10H18Cl2N4
• Molecular Mass: 265.18272
• Monoisotopic Mass: 264.09085196
• SMILES: c1(N2CCC(CC2)N)cc(ncn1)C.Cl.Cl
• Canonical SMILES: NC1CCN(CC1)c1ncnc(c1)C.Cl.Cl
• InChI: InChI=1S/C10H16N4.2ClH/c1-8-6-10(13-7-12-8)14-4-2-9(11)3-5-14;;/h6-7,9H,2-5,11H2,1H3;2*1H
• InChIKey: UWVOXQXFBGWJGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(6-methylpyrimidin-4-yl)piperidin-4-amine dihydrochloride
• IUPAC Traditional name: 1-(6-methylpyrimidin-4-yl)piperidin-4-amine dihydrochloride
• Synonyms: 1-(6-methylpyrimidin-4-yl)piperidin-4-amine dihydrochloride

Database IDs

• MDL Number: MFCD22196432
• PubChem SID: 164291596
• PubChem CID: 67342133

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.5062854
• LogD (pH = 7.4): -2.4060838
• Log P: 0.09478481
• Molar Refractivity: 57.4377 cm^3
• Polarizability: 21.440752 Å^3
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.221

Product Information

• Purity: 95%