(3R)-3-methyl-1-(triphenylmethyl)piperazine

• ChemBase ID: 800338
• Molecular Formular: C24H26N2
• Molecular Mass: 342.47664
• Monoisotopic Mass: 342.20959884
• SMILES: C1[C@H](NCCN1C(c1ccccc1)(c1ccccc1)c1ccccc1)C
• Canonical SMILES: C[C@H]1NCCN(C1)C(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H26N2/c1-20-19-26(18-17-25-20)24(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,25H,17-19H2,1H3/t20-/m1/s1
• InChIKey: VYUQPZHRDKLOPX-HXUWFJFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R)-3-methyl-1-(triphenylmethyl)piperazine
• IUPAC Traditional name: (3R)-3-methyl-1-(triphenylmethyl)piperazine
• Synonyms: (R)-3-Methyl-1-trityl-piperazine

Database IDs

• CAS Number: 313657-75-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8444941
• LogD (pH = 7.4): 3.1645987
• Log P: 5.2277713
• Molar Refractivity: 110.2125 cm^3
• Polarizability: 43.029675 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%