1-(2,6-dimethylpyrimidin-4-yl)-N-propylpiperidin-4-amine dihydrochloride

• ChemBase ID: 274253
• Molecular Formular: C14H26Cl2N4
• Molecular Mass: 321.28904
• Monoisotopic Mass: 320.15345221
• SMILES: c1(nc(nc(c1)C)C)N1CCC(CC1)NCCC.Cl.Cl
• Canonical SMILES: CCCNC1CCN(CC1)c1cc(C)nc(n1)C.Cl.Cl
• InChI: InChI=1S/C14H24N4.2ClH/c1-4-7-15-13-5-8-18(9-6-13)14-10-11(2)16-12(3)17-14;;/h10,13,15H,4-9H2,1-3H3;2*1H
• InChIKey: YIDQSMIHNZGDPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,6-dimethylpyrimidin-4-yl)-N-propylpiperidin-4-amine dihydrochloride
• IUPAC Traditional name: 1-(2,6-dimethylpyrimidin-4-yl)-N-propylpiperidin-4-amine dihydrochloride
• Synonyms: 1-(2,6-dimethylpyrimidin-4-yl)-N-propylpiperidin-4-amine dihydrochloride

Database IDs

• MDL Number: MFCD18838765
• PubChem SID: 164330163
• PubChem CID: 54593093

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.7772336
• LogD (pH = 7.4): -1.0438455
• Log P: 2.0534303
• Molar Refractivity: 76.1093 cm^3
• Polarizability: 28.734253 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.482

Product Information

• Purity: 95%