1-[3-(1H-pyrazol-1-yl)phenyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-amine

• ChemBase ID: 681803
• Molecular Formular: C24H28N4
• Molecular Mass: 372.50592
• Monoisotopic Mass: 372.23139692
• SMILES: n1(nccc1)c1cc(N2CCC(NC3Cc4c(CC3)cccc4)CC2)ccc1
• Canonical SMILES: c1cc(cc(c1)n1cccn1)N1CCC(CC1)NC1CCc2c(C1)cccc2
• InChI: InChI=1S/C24H28N4/c1-2-6-20-17-22(10-9-19(20)5-1)26-21-11-15-27(16-12-21)23-7-3-8-24(18-23)28-14-4-13-25-28/h1-8,13-14,18,21-22,26H,9-12,15-17H2
• InChIKey: HNJOVAKSXYZVGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(1H-pyrazol-1-yl)phenyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-amine
• IUPAC Traditional name: 1-[3-(pyrazol-1-yl)phenyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-amine
• Synonyms: 1-[3-(1H-pyrazol-1-yl)phenyl]-N-(1,2,3,4-tetrahydro-2-naphthalenyl)-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1250559
• LogD (pH = 7.4): 1.6055144
• Log P: 4.368225
• Molar Refractivity: 115.9531 cm^3
• Polarizability: 44.69032 Å^3
• Polar Surface Area: 33.09 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.5
• LOG S: -4.75
• Polar Surface Area: 33.09 Å^2
• Rotatable Bonds: 4