N-(3-fluorophenyl)-1-(thiophene-3-carbonyl)piperidin-3-amine

• ChemBase ID: 842853
• Molecular Formular: C16H17FN2OS
• Molecular Mass: 304.3823832
• Monoisotopic Mass: 304.10456239
• SMILES: C(=O)(N1CC(Nc2cc(F)ccc2)CCC1)c1cscc1
• Canonical SMILES: Fc1cccc(c1)NC1CCCN(C1)C(=O)c1cscc1
• InChI: InChI=1S/C16H17FN2OS/c17-13-3-1-4-14(9-13)18-15-5-2-7-19(10-15)16(20)12-6-8-21-11-12/h1,3-4,6,8-9,11,15,18H,2,5,7,10H2
• InChIKey: LUYFTWJOMZPEML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-fluorophenyl)-1-(thiophene-3-carbonyl)piperidin-3-amine
• IUPAC Traditional name: N-(3-fluorophenyl)-1-(thiophene-3-carbonyl)piperidin-3-amine
• Synonyms: N-(3-fluorophenyl)-1-(3-thienylcarbonyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.943388
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9261484
• LogD (pH = 7.4): 2.9343402
• Log P: 2.9344456
• Molar Refractivity: 83.746 cm^3
• Polarizability: 30.726942 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: 3.23
• LOG S: -4.64
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3