1-{2-[4-(pyridin-4-yloxy)piperidin-1-yl]pyrimidin-4-yl}piperidin-3-ol

• ChemBase ID: 662497
• Molecular Formular: C19H25N5O2
• Molecular Mass: 355.4341
• Monoisotopic Mass: 355.20082507
• SMILES: n1c(N2CCC(CC2)Oc2ccncc2)nccc1N1CC(O)CCC1
• Canonical SMILES: OC1CCCN(C1)c1ccnc(n1)N1CCC(CC1)Oc1ccncc1
• InChI: InChI=1S/C19H25N5O2/c25-15-2-1-11-24(14-15)18-5-10-21-19(22-18)23-12-6-17(7-13-23)26-16-3-8-20-9-4-16/h3-5,8-10,15,17,25H,1-2,6-7,11-14H2
• InChIKey: IPCNVQRFEQQDNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-[4-(pyridin-4-yloxy)piperidin-1-yl]pyrimidin-4-yl}piperidin-3-ol
• IUPAC Traditional name: 1-{2-[4-(pyridin-4-yloxy)piperidin-1-yl]pyrimidin-4-yl}piperidin-3-ol
• Synonyms: 1-{2-[4-(pyridin-4-yloxy)piperidin-1-yl]pyrimidin-4-yl}piperidin-3-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.869825
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): -0.12248541
• LogD (pH = 7.4): 1.5912863
• Log P: 1.749068
• Molar Refractivity: 101.1698 cm^3
• Polarizability: 37.774353 Å^3
• Polar Surface Area: 74.61 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.18
• LOG S: -3.65
• Polar Surface Area: 74.61 Å^2
• Rotatable Bonds: 4