4-{5H,6H,7H,8H-imidazo[1,2-a]pyrazin-7-yl}piperidine

• ChemBase ID: 243476
• Molecular Formular: C11H18N4
• Molecular Mass: 206.28742
• Monoisotopic Mass: 206.1531466
• SMILES: c12n(ccn1)CCN(C2)C1CCNCC1
• Canonical SMILES: N1CCC(CC1)N1CCn2c(C1)ncc2
• InChI: InChI=1S/C11H18N4/c1-3-12-4-2-10(1)15-8-7-14-6-5-13-11(14)9-15/h5-6,10,12H,1-4,7-9H2
• InChIKey: UHXRVXHGFRZYJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{5H,6H,7H,8H-imidazo[1,2-a]pyrazin-7-yl}piperidine
• IUPAC Traditional name: 4-{5H,6H,8H-imidazo[1,2-a]pyrazin-7-yl}piperidine
• Synonyms: 4-{5H,6H,7H,8H-imidazo[1,2-a]pyrazin-7-yl}piperidine

Database IDs

• MDL Number: MFCD17275562
• PubChem SID: 164299386
• PubChem CID: 63013048

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.3436265
• LogD (pH = 7.4): -3.1477373
• Log P: -0.4347517
• Molar Refractivity: 59.9666 cm^3
• Polarizability: 23.386063 Å^3
• Polar Surface Area: 33.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 63 - 65°C
• Hydrophobicity(logP): -0.747

Product Information

• Purity: 95%