2-(piperidin-4-yloxy)pyrimidine dihydrochloride

• ChemBase ID: 76259
• Molecular Formular: C9H15Cl2N3O
• Molecular Mass: 252.1409
• Monoisotopic Mass: 251.05921748
• SMILES: n1cccnc1OC1CCNCC1.Cl.Cl
• Canonical SMILES: N1CCC(CC1)Oc1ncccn1.Cl.Cl
• InChI: InChI=1S/C9H13N3O.2ClH/c1-4-11-9(12-5-1)13-8-2-6-10-7-3-8;;/h1,4-5,8,10H,2-3,6-7H2;2*1H
• InChIKey: PSCAJDYZCMOCFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03840123
• PubChem SID: 162041166
• PubChem CID: 17749789

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.9927878
• LogD (pH = 7.4): -2.1483285
• Log P: 0.2146084
• Molar Refractivity: 49.2879 cm^3
• Polarizability: 19.23169 Å^3
• Polar Surface Area: 47.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true