2-(piperidin-4-yloxy)pyrazine dihydrochloride

• ChemBase ID: 76260
• Molecular Formular: C9H15Cl2N3O
• Molecular Mass: 252.1409
• Monoisotopic Mass: 251.05921748
• SMILES: n1c(cncc1)OC1CCNCC1.Cl.Cl
• Canonical SMILES: N1CCC(CC1)Oc1nccnc1.Cl.Cl
• InChI: InChI=1S/C9H13N3O.2ClH/c1-3-10-4-2-8(1)13-9-7-11-5-6-12-9;;/h5-8,10H,1-4H2;2*1H
• InChIKey: CIYZUZVEWDMGLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-4-yloxy)pyrazine dihydrochloride
• IUPAC Traditional name: 2-(piperidin-4-yloxy)pyrazine dihydrochloride
• Synonyms: 2-(Piperidin-4-yloxy)pyrazine dihydrochloride

Database IDs

• MDL Number: MFCD03840122
• PubChem SID: 162041167
• PubChem CID: 17749788

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.588949
• LogD (pH = 7.4): -2.7445588
• Log P: -0.38155457
• Molar Refractivity: 48.6773 cm^3
• Polarizability: 19.225285 Å^3
• Polar Surface Area: 47.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant