1-(3-fluoro-4-methoxybenzoyl)-N-[4-(propan-2-yl)phenyl]piperidin-3-amine

• ChemBase ID: 373976
• Molecular Formular: C22H27FN2O2
• Molecular Mass: 370.4603832
• Monoisotopic Mass: 370.20565633
• SMILES: N1(C(=O)c2cc(c(cc2)OC)F)CC(Nc2ccc(cc2)C(C)C)CCC1
• Canonical SMILES: COc1ccc(cc1F)C(=O)N1CCCC(C1)Nc1ccc(cc1)C(C)C
• InChI: InChI=1S/C22H27FN2O2/c1-15(2)16-6-9-18(10-7-16)24-19-5-4-12-25(14-19)22(26)17-8-11-21(27-3)20(23)13-17/h6-11,13,15,19,24H,4-5,12,14H2,1-3H3
• InChIKey: CLDIUVSADMIVGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-fluoro-4-methoxybenzoyl)-N-[4-(propan-2-yl)phenyl]piperidin-3-amine
• IUPAC Traditional name: 1-(3-fluoro-4-methoxybenzoyl)-N-(4-isopropylphenyl)piperidin-3-amine
• Synonyms: 1-(3-fluoro-4-methoxybenzoyl)-N-(4-isopropylphenyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.1408567
• LogD (pH = 7.4): 4.2399197
• Log P: 4.2413416
• Molar Refractivity: 107.2942 cm^3
• Polarizability: 39.99012 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.63
• LOG S: -5.42
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3