1-(1-phenylpiperidin-4-yl)piperazine

• ChemBase ID: 88701
• Molecular Formular: C15H23N3
• Molecular Mass: 245.36322
• Monoisotopic Mass: 245.18919775
• SMILES: N1(c2ccccc2)CCC(N2CCNCC2)CC1
• Canonical SMILES: N1CCN(CC1)C1CCN(CC1)c1ccccc1
• InChI: InChI=1S/C15H23N3/c1-2-4-14(5-3-1)17-10-6-15(7-11-17)18-12-8-16-9-13-18/h1-5,15-16H,6-13H2
• InChIKey: LJGYWQOIKLPHKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-phenylpiperidin-4-yl)piperazine
• IUPAC Traditional name: 1-(1-phenylpiperidin-4-yl)piperazine
• Synonyms: 1-(1-Phenylpiperidin-4-yl)piperazine

Database IDs

• MDL Number: MFCD02093535
• PubChem SID: 162075622
• PubChem CID: 2737157

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9122437
• LogD (pH = 7.4): -0.54380226
• Log P: 1.5721674
• Molar Refractivity: 76.6931 cm^3
• Polarizability: 29.671019 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant