6-(4-phenylpiperazin-1-yl)pyridin-3-amine

• ChemBase ID: 122806
• Molecular Formular: C15H18N4
• Molecular Mass: 254.33022
• Monoisotopic Mass: 254.1531466
• SMILES: N1(c2ncc(N)cc2)CCN(CC1)c1ccccc1
• Canonical SMILES: Nc1ccc(nc1)N1CCN(CC1)c1ccccc1
• InChI: InChI=1S/C15H18N4/c16-13-6-7-15(17-12-13)19-10-8-18(9-11-19)14-4-2-1-3-5-14/h1-7,12H,8-11,16H2
• InChIKey: WNYRUKPZNBDMMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-phenylpiperazin-1-yl)pyridin-3-amine
• IUPAC Traditional name: 6-(4-phenylpiperazin-1-yl)pyridin-3-amine
• Synonyms: 6-(4-phenylpiperazin-1-yl)pyridin-3-amine

Database IDs

• PubChem SID: 162217159
• PubChem CID: 9161636

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.228899
• LogD (pH = 7.4): 2.2619987
• Log P: 2.3673887
• Molar Refractivity: 79.8922 cm^3
• Polarizability: 29.087936 Å^3
• Polar Surface Area: 45.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true