{4-[6-(piperidin-1-yl)pyrimidin-4-yl]phenyl}methanol

• ChemBase ID: 604984
• Molecular Formular: C16H19N3O
• Molecular Mass: 269.34156
• Monoisotopic Mass: 269.15281224
• SMILES: c1(cc(ncn1)c1ccc(cc1)CO)N1CCCCC1
• Canonical SMILES: OCc1ccc(cc1)c1ncnc(c1)N1CCCCC1
• InChI: InChI=1S/C16H19N3O/c20-11-13-4-6-14(7-5-13)15-10-16(18-12-17-15)19-8-2-1-3-9-19/h4-7,10,12,20H,1-3,8-9,11H2
• InChIKey: YGTKVIWJMPBXEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[6-(piperidin-1-yl)pyrimidin-4-yl]phenyl}methanol
• IUPAC Traditional name: {4-[6-(piperidin-1-yl)pyrimidin-4-yl]phenyl}methanol
• Synonyms: {4-[6-(1-piperidinyl)-4-pyrimidinyl]phenyl}methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.941933
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.7973008
• LogD (pH = 7.4): 2.8673565
• Log P: 2.8683288
• Molar Refractivity: 81.1865 cm^3
• Polarizability: 31.57953 Å^3
• Polar Surface Area: 49.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.85
• LOG S: -3.6
• Polar Surface Area: 49.25 Å^2
• Rotatable Bonds: 3