1-[3-(dimethylamino)benzoyl]-N-(4-fluorophenyl)piperidin-3-amine

• ChemBase ID: 495824
• Molecular Formular: C20H24FN3O
• Molecular Mass: 341.4224632
• Monoisotopic Mass: 341.19034062
• SMILES: N1(C(=O)c2cc(N(C)C)ccc2)CC(Nc2ccc(F)cc2)CCC1
• Canonical SMILES: Fc1ccc(cc1)NC1CCCN(C1)C(=O)c1cccc(c1)N(C)C
• InChI: InChI=1S/C20H24FN3O/c1-23(2)19-7-3-5-15(13-19)20(25)24-12-4-6-18(14-24)22-17-10-8-16(21)9-11-17/h3,5,7-11,13,18,22H,4,6,12,14H2,1-2H3
• InChIKey: HIBYJEHBVCWYCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(dimethylamino)benzoyl]-N-(4-fluorophenyl)piperidin-3-amine
• IUPAC Traditional name: 1-[3-(dimethylamino)benzoyl]-N-(4-fluorophenyl)piperidin-3-amine
• Synonyms: 1-[3-(dimethylamino)benzoyl]-N-(4-fluorophenyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.1959293
• LogD (pH = 7.4): 3.2611623
• Log P: 3.2620475
• Molar Refractivity: 101.0688 cm^3
• Polarizability: 36.84855 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 1
• Log P: 3.92
• LOG S: -5.4
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 3