1-[4-(3-methoxyphenyl)phenyl]-N-(1-methyl-1H-pyrazol-5-yl)piperidin-4-amine

• ChemBase ID: 328397
• Molecular Formular: C22H26N4O
• Molecular Mass: 362.46804
• Monoisotopic Mass: 362.21066147
• SMILES: c1(n(ncc1)C)NC1CCN(c2ccc(c3cc(OC)ccc3)cc2)CC1
• Canonical SMILES: COc1cccc(c1)c1ccc(cc1)N1CCC(CC1)Nc1ccnn1C
• InChI: InChI=1S/C22H26N4O/c1-25-22(10-13-23-25)24-19-11-14-26(15-12-19)20-8-6-17(7-9-20)18-4-3-5-21(16-18)27-2/h3-10,13,16,19,24H,11-12,14-15H2,1-2H3
• InChIKey: GYHCFKOZCWCCKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(3-methoxyphenyl)phenyl]-N-(1-methyl-1H-pyrazol-5-yl)piperidin-4-amine
• IUPAC Traditional name: 1-[4-(3-methoxyphenyl)phenyl]-N-(2-methylpyrazol-3-yl)piperidin-4-amine
• Synonyms: 1-(3'-methoxy-4-biphenylyl)-N-(1-methyl-1H-pyrazol-5-yl)-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.2324917
• LogD (pH = 7.4): 3.368627
• Log P: 3.3706555
• Molar Refractivity: 121.9575 cm^3
• Polarizability: 42.74097 Å^3
• Polar Surface Area: 42.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.24
• LOG S: -5.46
• Polar Surface Area: 42.32 Å^2
• Rotatable Bonds: 5