6-(piperidin-1-yl)-7H-purine

• ChemBase ID: 104530
• Molecular Formular: C10H13N5
• Molecular Mass: 203.24372
• Monoisotopic Mass: 203.11709544
• SMILES: C1CCN(CC1)c1ncnc2c1[nH]cn2
• Canonical SMILES: C1CCN(CC1)c1ncnc2c1[nH]cn2
• InChI: InChI=1S/C10H13N5/c1-2-4-15(5-3-1)10-8-9(12-6-11-8)13-7-14-10/h6-7H,1-5H2,(H,11,12,13,14)
• InChIKey: OXCZAXJFRBPQRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(piperidin-1-yl)-7H-purine
• IUPAC Traditional name: 6-(piperidin-1-yl)-7H-purine
• Synonyms: 6-PIPERIDINOPURINE

Database IDs

• CAS Number: 1928-81-0
• PubChem SID: 162091568
• PubChem CID: 3129049

CALCULATED PROPERTIES

• Acid pKa: 10.161019
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0747243
• LogD (pH = 7.4): 1.2111222
• Log P: 1.2138658
• Molar Refractivity: 60.0897 cm^3
• Polarizability: 21.822039 Å^3
• Polar Surface Area: 57.7 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: -20°C

DETAILS

MP Biomedicals - 02156271

Crystalline