1-(3-phenylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine

• ChemBase ID: 395573
• Molecular Formular: C22H25N3S
• Molecular Mass: 363.519
• Monoisotopic Mass: 363.17691882
• SMILES: N1(c2cc(c3ccccc3)ccc2)CCC(CC1)NCCc1ncsc1
• Canonical SMILES: c1ccc(cc1)c1cccc(c1)N1CCC(CC1)NCCc1cscn1
• InChI: InChI=1S/C22H25N3S/c1-2-5-18(6-3-1)19-7-4-8-22(15-19)25-13-10-20(11-14-25)23-12-9-21-16-26-17-24-21/h1-8,15-17,20,23H,9-14H2
• InChIKey: BMLCKYOBPRSGRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-phenylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine
• IUPAC Traditional name: 1-(3-phenylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine
• Synonyms: 1-(3-biphenylyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8568333
• LogD (pH = 7.4): 1.829134
• Log P: 4.0740237
• Molar Refractivity: 109.7774 cm^3
• Polarizability: 43.446445 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.99
• LOG S: -4.25
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 6