4-{2-[1-(1H-indole-2-carbonyl)piperidin-2-yl]ethyl}phenol

• ChemBase ID: 443303
• Molecular Formular: C22H24N2O2
• Molecular Mass: 348.43816
• Monoisotopic Mass: 348.18377802
• SMILES: c1(C(=O)N2C(CCc3ccc(cc3)O)CCCC2)[nH]c2c(c1)cccc2
• Canonical SMILES: Oc1ccc(cc1)CCC1CCCCN1C(=O)c1cc2c([nH]1)cccc2
• InChI: InChI=1S/C22H24N2O2/c25-19-12-9-16(10-13-19)8-11-18-6-3-4-14-24(18)22(26)21-15-17-5-1-2-7-20(17)23-21/h1-2,5,7,9-10,12-13,15,18,23,25H,3-4,6,8,11,14H2
• InChIKey: YIAPODMEXATZOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-[1-(1H-indole-2-carbonyl)piperidin-2-yl]ethyl}phenol
• IUPAC Traditional name: 4-{2-[1-(1H-indole-2-carbonyl)piperidin-2-yl]ethyl}phenol
• Synonyms: 4-{2-[1-(1H-indol-2-ylcarbonyl)piperidin-2-yl]ethyl}phenol

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.504944
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 4.3542295
• LogD (pH = 7.4): 4.3508954
• Log P: 4.3542724
• Molar Refractivity: 103.6555 cm^3
• Polarizability: 40.76103 Å^3
• Polar Surface Area: 56.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 4.0
• LOG S: -4.57
• Polar Surface Area: 56.33 Å^2
• Rotatable Bonds: 4