N-(4-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-3-amine

• ChemBase ID: 320102
• Molecular Formular: C19H27FN2O
• Molecular Mass: 318.4288832
• Monoisotopic Mass: 318.21074171
• SMILES: C1(C(C1C(=O)N1CC(Nc2ccc(F)cc2)CCC1)(C)C)(C)C
• Canonical SMILES: Fc1ccc(cc1)NC1CCCN(C1)C(=O)C1C(C1(C)C)(C)C
• InChI: InChI=1S/C19H27FN2O/c1-18(2)16(19(18,3)4)17(23)22-11-5-6-15(12-22)21-14-9-7-13(20)8-10-14/h7-10,15-16,21H,5-6,11-12H2,1-4H3
• InChIKey: JRRSQVJVGIOJBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-3-amine
• IUPAC Traditional name: N-(4-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-3-amine
• Synonyms: N-(4-fluorophenyl)-1-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.2071831
• LogD (pH = 7.4): 3.2531393
• Log P: 3.253758
• Molar Refractivity: 91.4163 cm^3
• Polarizability: 34.812134 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: 4.76
• LOG S: -4.62
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3