5-methyl-2-(piperidin-4-yloxy)pyrimidine hydrochloride

• ChemBase ID: 247046
• Molecular Formular: C10H16ClN3O
• Molecular Mass: 229.70654
• Monoisotopic Mass: 229.09818983
• SMILES: c1(ncc(cn1)C)OC1CCNCC1.Cl
• Canonical SMILES: Cc1cnc(nc1)OC1CCNCC1.Cl
• InChI: InChI=1S/C10H15N3O.ClH/c1-8-6-12-10(13-7-8)14-9-2-4-11-5-3-9;/h6-7,9,11H,2-5H2,1H3;1H
• InChIKey: SSYKFXNPGKZQNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-2-(piperidin-4-yloxy)pyrimidine hydrochloride
• IUPAC Traditional name: 5-methyl-2-(piperidin-4-yloxy)pyrimidine hydrochloride
• Synonyms: 5-methyl-2-(piperidin-4-yloxy)pyrimidine hydrochloride

Database IDs

• PubChem SID: 164302956
• PubChem CID: 71758137

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.4793637
• LogD (pH = 7.4): -1.634907
• Log P: 0.7280298
• Molar Refractivity: 54.3291 cm^3
• Polarizability: 20.9948 Å^3
• Polar Surface Area: 47.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.749

Product Information

• Purity: 95%