5-methyl-4-(piperidin-4-yl)pyrimidine

• ChemBase ID: 309885
• Molecular Formular: C10H15N3
• Molecular Mass: 177.2462
• Monoisotopic Mass: 177.1265975
• SMILES: c1(ncncc1C)C1CCNCC1
• Canonical SMILES: Cc1cncnc1C1CCNCC1
• InChI: InChI=1S/C10H15N3/c1-8-6-12-7-13-10(8)9-2-4-11-5-3-9/h6-7,9,11H,2-5H2,1H3
• InChIKey: HWPYZDXFRRSULK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-4-(piperidin-4-yl)pyrimidine
• IUPAC Traditional name: 5-methyl-4-(piperidin-4-yl)pyrimidine
• Synonyms: 5-methyl-4-(4-piperidinyl)pyrimidine

Database IDs

• MDL Number: MFCD18381574

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.4183054
• LogD (pH = 7.4): -1.6779954
• Log P: 0.7981049
• Molar Refractivity: 52.7866 cm^3
• Polarizability: 20.230202 Å^3
• Polar Surface Area: 37.81 Å^2