1-[4-(3-methoxyphenyl)phenyl]-N-[2-(pyrazin-2-yl)ethyl]piperidin-4-amine

• ChemBase ID: 459870
• Molecular Formular: C24H28N4O
• Molecular Mass: 388.50532
• Monoisotopic Mass: 388.22631154
• SMILES: N1(c2ccc(c3cc(OC)ccc3)cc2)CCC(CC1)NCCc1nccnc1
• Canonical SMILES: COc1cccc(c1)c1ccc(cc1)N1CCC(CC1)NCCc1cnccn1
• InChI: InChI=1S/C24H28N4O/c1-29-24-4-2-3-20(17-24)19-5-7-23(8-6-19)28-15-10-21(11-16-28)26-12-9-22-18-25-13-14-27-22/h2-8,13-14,17-18,21,26H,9-12,15-16H2,1H3
• InChIKey: MTHCYJGZULKPNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(3-methoxyphenyl)phenyl]-N-[2-(pyrazin-2-yl)ethyl]piperidin-4-amine
• IUPAC Traditional name: 1-[4-(3-methoxyphenyl)phenyl]-N-[2-(pyrazin-2-yl)ethyl]piperidin-4-amine
• Synonyms: 1-(3'-methoxy-4-biphenylyl)-N-[2-(2-pyrazinyl)ethyl]-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.38276997
• LogD (pH = 7.4): 0.56541497
• Log P: 2.8222148
• Molar Refractivity: 116.7184 cm^3
• Polarizability: 46.400402 Å^3
• Polar Surface Area: 50.28 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.13
• LOG S: -3.7
• Polar Surface Area: 50.28 Å^2
• Rotatable Bonds: 7