pyridin-2-yl[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]methanol

• ChemBase ID: 703221
• Molecular Formular: C15H19N3OS
• Molecular Mass: 289.39586
• Monoisotopic Mass: 289.12488324
• SMILES: n1c(csc1)CN1CCC(C(c2ncccc2)O)CC1
• Canonical SMILES: OC(c1ccccn1)C1CCN(CC1)Cc1cscn1
• InChI: InChI=1S/C15H19N3OS/c19-15(14-3-1-2-6-16-14)12-4-7-18(8-5-12)9-13-10-20-11-17-13/h1-3,6,10-12,15,19H,4-5,7-9H2
• InChIKey: GDGSXFUWTBMRTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridin-2-yl[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]methanol
• IUPAC Traditional name: pyridin-2-yl[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]methanol
• Synonyms: pyridin-2-yl[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.5520525
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.11852234
• LogD (pH = 7.4): 1.1352204
• Log P: 1.2337965
• Molar Refractivity: 79.508 cm^3
• Polarizability: 31.100834 Å^3
• Polar Surface Area: 49.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.02
• LOG S: 0.54
• Polar Surface Area: 49.25 Å^2
• Rotatable Bonds: 4