2-(4-phenylpiperazin-1-yl)pyridin-3-amine

• ChemBase ID: 120784
• Molecular Formular: C15H18N4
• Molecular Mass: 254.33022
• Monoisotopic Mass: 254.1531466
• SMILES: N1(c2ncccc2N)CCN(CC1)c1ccccc1
• Canonical SMILES: Nc1cccnc1N1CCN(CC1)c1ccccc1
• InChI: InChI=1S/C15H18N4/c16-14-7-4-8-17-15(14)19-11-9-18(10-12-19)13-5-2-1-3-6-13/h1-8H,9-12,16H2
• InChIKey: YVAQFMDOZSVQLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-phenylpiperazin-1-yl)pyridin-3-amine
• IUPAC Traditional name: 2-(4-phenylpiperazin-1-yl)pyridin-3-amine
• Synonyms: 2-(4-phenylpiperazin-1-yl)pyridin-3-amine

Database IDs

• PubChem SID: 162215137
• PubChem CID: 203478

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1672183
• LogD (pH = 7.4): 2.2328308
• Log P: 2.3673887
• Molar Refractivity: 79.8922 cm^3
• Polarizability: 29.089323 Å^3
• Polar Surface Area: 45.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true