2-(piperidin-4-yl)pyrimidine

• ChemBase ID: 804489
• Molecular Formular: C9H13N3
• Molecular Mass: 163.21962
• Monoisotopic Mass: 163.11094743
• SMILES: c1cnc(nc1)C1CCNCC1
• Canonical SMILES: N1CCC(CC1)c1ncccn1
• InChI: InChI=1S/C9H13N3/c1-4-11-9(12-5-1)8-2-6-10-7-3-8/h1,4-5,8,10H,2-3,6-7H2
• InChIKey: OLYYSYUUMYTBLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-4-yl)pyrimidine
• IUPAC Traditional name: 2-(piperidin-4-yl)pyrimidine
• Synonyms: 2-(PIPERIDIN-4-YL)PYRIMIDINE

Database IDs

• CAS Number: 151389-25-2

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): -2.7574313
• LogD (pH = 7.4): -1.8545426
• Log P: 0.57095236
• Molar Refractivity: 47.7783 cm^3
• Polarizability: 18.465643 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 3

PROPERTIES

Product Information

• Purity: 98%