1-(pyrazine-2-carbonyl)piperidin-4-amine hydrochloride

• ChemBase ID: 277120
• Molecular Formular: C10H15ClN4O
• Molecular Mass: 242.7053
• Monoisotopic Mass: 242.0934388
• SMILES: C(=O)(N1CCC(CC1)N)c1nccnc1.Cl
• Canonical SMILES: NC1CCN(CC1)C(=O)c1nccnc1.Cl
• InChI: InChI=1S/C10H14N4O.ClH/c11-8-1-5-14(6-2-8)10(15)9-7-12-3-4-13-9;/h3-4,7-8H,1-2,5-6,11H2;1H
• InChIKey: CEWVQQDOSRQXAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyrazine-2-carbonyl)piperidin-4-amine hydrochloride
• IUPAC Traditional name: 1-(pyrazine-2-carbonyl)piperidin-4-amine hydrochloride
• Synonyms: 1-[(pyrazin-2-yl)carbonyl]piperidin-4-amine hydrochloride

Database IDs

• MDL Number: MFCD09607873
• PubChem SID: 164333030
• PubChem CID: 45787029

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.584905
• LogD (pH = 7.4): -4.0159626
• Log P: -1.5670785
• Molar Refractivity: 55.6258 cm^3
• Polarizability: 21.399616 Å^3
• Polar Surface Area: 72.11 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 239 - 241°C
• Hydrophobicity(logP): -2.243

Product Information

• Purity: 95%