1-(cyclopent-1-ene-1-carbonyl)-N-(4-fluorophenyl)piperidin-3-amine

• ChemBase ID: 861331
• Molecular Formular: C17H21FN2O
• Molecular Mass: 288.3598432
• Monoisotopic Mass: 288.16379152
• SMILES: N1(C(=O)C2=CCCC2)CC(Nc2ccc(F)cc2)CCC1
• Canonical SMILES: Fc1ccc(cc1)NC1CCCN(C1)C(=O)C1=CCCC1
• InChI: InChI=1S/C17H21FN2O/c18-14-7-9-15(10-8-14)19-16-6-3-11-20(12-16)17(21)13-4-1-2-5-13/h4,7-10,16,19H,1-3,5-6,11-12H2
• InChIKey: MJVLRXXVGJAHCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopent-1-ene-1-carbonyl)-N-(4-fluorophenyl)piperidin-3-amine
• IUPAC Traditional name: 1-(cyclopent-1-ene-1-carbonyl)-N-(4-fluorophenyl)piperidin-3-amine
• Synonyms: 1-(1-cyclopenten-1-ylcarbonyl)-N-(4-fluorophenyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7672465
• LogD (pH = 7.4): 2.8184566
• Log P: 2.8191504
• Molar Refractivity: 83.4468 cm^3
• Polarizability: 30.890629 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: 3.8
• LOG S: -4.76
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3