dimethyl[(4-{[5-(piperidine-1-carbonyl)pyridin-2-yl]oxy}phenyl)methyl]amine

• ChemBase ID: 315415
• Molecular Formular: C20H25N3O2
• Molecular Mass: 339.4314
• Monoisotopic Mass: 339.19467706
• SMILES: C(=O)(c1cnc(Oc2ccc(CN(C)C)cc2)cc1)N1CCCCC1
• Canonical SMILES: CN(Cc1ccc(cc1)Oc1ccc(cn1)C(=O)N1CCCCC1)C
• InChI: InChI=1S/C20H25N3O2/c1-22(2)15-16-6-9-18(10-7-16)25-19-11-8-17(14-21-19)20(24)23-12-4-3-5-13-23/h6-11,14H,3-5,12-13,15H2,1-2H3
• InChIKey: LBISLIKTJPBKBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[(4-{[5-(piperidine-1-carbonyl)pyridin-2-yl]oxy}phenyl)methyl]amine
• IUPAC Traditional name: dimethyl[(4-{[5-(piperidine-1-carbonyl)pyridin-2-yl]oxy}phenyl)methyl]amine
• Synonyms: N,N-dimethyl-1-(4-{[5-(piperidin-1-ylcarbonyl)pyridin-2-yl]oxy}phenyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.10965275
• LogD (pH = 7.4): 1.5848485
• Log P: 2.9400735
• Molar Refractivity: 100.0119 cm^3
• Polarizability: 38.119587 Å^3
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.94
• LOG S: -3.33
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 5