2-[(2-ethylpiperidin-1-yl)methyl]-4-(pyridin-2-yl)phenol

• ChemBase ID: 486269
• Molecular Formular: C19H24N2O
• Molecular Mass: 296.40666
• Monoisotopic Mass: 296.1888634
• SMILES: N1(Cc2cc(c3ncccc3)ccc2O)C(CC)CCCC1
• Canonical SMILES: CCC1CCCCN1Cc1cc(ccc1O)c1ccccn1
• InChI: InChI=1S/C19H24N2O/c1-2-17-7-4-6-12-21(17)14-16-13-15(9-10-19(16)22)18-8-3-5-11-20-18/h3,5,8-11,13,17,22H,2,4,6-7,12,14H2,1H3
• InChIKey: FSYKIRIYZLTRTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-ethylpiperidin-1-yl)methyl]-4-(pyridin-2-yl)phenol
• IUPAC Traditional name: 2-[(2-ethylpiperidin-1-yl)methyl]-4-(pyridin-2-yl)phenol
• Synonyms: 2-[(2-ethyl-1-piperidinyl)methyl]-4-(2-pyridinyl)phenol

CALCULATED PROPERTIES

JChem

• Acid pKa: 7.5477605
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0323846
• LogD (pH = 7.4): 2.4769154
• Log P: 2.8341532
• Molar Refractivity: 90.2737 cm^3
• Polarizability: 36.591805 Å^3
• Polar Surface Area: 36.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.34
• LOG S: -3.35
• Polar Surface Area: 36.36 Å^2
• Rotatable Bonds: 3