{1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-propylpiperidin-3-yl}methanol

• ChemBase ID: 380980
• Molecular Formular: C15H27N3O
• Molecular Mass: 265.39438
• Monoisotopic Mass: 265.2154125
• SMILES: c1(c([nH]nc1C)C)CN1CC(CO)(CCC1)CCC
• Canonical SMILES: CCCC1(CO)CCCN(C1)Cc1c(C)n[nH]c1C
• InChI: InChI=1S/C15H27N3O/c1-4-6-15(11-19)7-5-8-18(10-15)9-14-12(2)16-17-13(14)3/h19H,4-11H2,1-3H3,(H,16,17)
• InChIKey: XCNQJZVNKNIJPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-propylpiperidin-3-yl}methanol
• IUPAC Traditional name: {1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-propylpiperidin-3-yl}methanol
• Synonyms: {1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-propyl-3-piperidinyl}methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.758096
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.3408757
• LogD (pH = 7.4): 0.33235964
• Log P: 1.751464
• Molar Refractivity: 80.0177 cm^3
• Polarizability: 30.488605 Å^3
• Polar Surface Area: 52.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.16
• LOG S: -1.97
• Polar Surface Area: 52.15 Å^2
• Rotatable Bonds: 5