N-(4-fluorophenyl)-1-(3-methylbenzoyl)piperidin-3-amine

• ChemBase ID: 410232
• Molecular Formular: C19H21FN2O
• Molecular Mass: 312.3812432
• Monoisotopic Mass: 312.16379152
• SMILES: N1(C(=O)c2cc(ccc2)C)CC(Nc2ccc(F)cc2)CCC1
• Canonical SMILES: Fc1ccc(cc1)NC1CCCN(C1)C(=O)c1cccc(c1)C
• InChI: InChI=1S/C19H21FN2O/c1-14-4-2-5-15(12-14)19(23)22-11-3-6-18(13-22)21-17-9-7-16(20)8-10-17/h2,4-5,7-10,12,18,21H,3,6,11,13H2,1H3
• InChIKey: GJDZCAMYRFSXQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-fluorophenyl)-1-(3-methylbenzoyl)piperidin-3-amine
• IUPAC Traditional name: N-(4-fluorophenyl)-1-(3-methylbenzoyl)piperidin-3-amine
• Synonyms: N-(4-fluorophenyl)-1-(3-methylbenzoyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.6085994
• LogD (pH = 7.4): 3.6666324
• Log P: 3.6674252
• Molar Refractivity: 91.6814 cm^3
• Polarizability: 33.78832 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 1
• Log P: 3.95
• LOG S: -5.19
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3