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

• ChemBase ID: 699741
• Molecular Formular: C19H27FN2O
• Molecular Mass: 318.4288832
• Monoisotopic Mass: 318.21074171
• SMILES: N1(C(=O)C2CCCCCC2)CC(Nc2ccc(F)cc2)CCC1
• Canonical SMILES: Fc1ccc(cc1)NC1CCCN(C1)C(=O)C1CCCCCC1
• InChI: InChI=1S/C19H27FN2O/c20-16-9-11-17(12-10-16)21-18-8-5-13-22(14-18)19(23)15-6-3-1-2-4-7-15/h9-12,15,18,21H,1-8,13-14H2
• InChIKey: JINIXQFRNVTXPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.813366
• LogD (pH = 7.4): 3.85731
• Log P: 3.8579001
• Molar Refractivity: 91.7729 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: 4.4
• LOG S: -4.84
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3