1-phenyl-4-(4-phenyloxane-4-carbonyl)piperazine

• ChemBase ID: 225221
• Molecular Formular: C22H26N2O2
• Molecular Mass: 350.45404
• Monoisotopic Mass: 350.19942808
• SMILES: C(=O)(C1(c2ccccc2)CCOCC1)N1CCN(CC1)c1ccccc1
• Canonical SMILES: O=C(C1(CCOCC1)c1ccccc1)N1CCN(CC1)c1ccccc1
• InChI: InChI=1S/C22H26N2O2/c25-21(22(11-17-26-18-12-22)19-7-3-1-4-8-19)24-15-13-23(14-16-24)20-9-5-2-6-10-20/h1-10H,11-18H2
• InChIKey: YSFSSKGSYUQZIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenyl-4-(4-phenyloxane-4-carbonyl)piperazine
• IUPAC Traditional name: 1-phenyl-4-(4-phenyloxane-4-carbonyl)piperazine

Database IDs

• PubChem SID: 164281131
• PubChem CID: 27456046

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.2624817
• LogD (pH = 7.4): 3.2660816
• Log P: 3.2661276
• Molar Refractivity: 104.1546 cm^3
• Polarizability: 39.925594 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds