bis(1-(dicyclohexylphosphanyl)piperidine); dichloropalladium

• ChemBase ID: 180565
• Molecular Formular: C34H64Cl2N2P2Pd
• Molecular Mass: 740.158882
• Monoisotopic Mass: 738.29566468
• SMILES: P(N1CCCCC1)(C1CCCCC1)C1CCCCC1.P(N1CCCCC1)(C1CCCCC1)C1CCCCC1.[Pd](Cl)Cl
• Canonical SMILES: C1CCC(CC1)P(N1CCCCC1)C1CCCCC1.C1CCC(CC1)P(N1CCCCC1)C1CCCCC1.Cl[Pd]Cl
• InChI: InChI=1S/2C17H32NP.2ClH.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*16-17H,1-15H2;2*1H;/q;;;;+2/p-2
• InChIKey: DGAATSPGVXMFKV-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(1-(dicyclohexylphosphanyl)piperidine); dichloropalladium
• IUPAC Traditional name: bis(1-(dicyclohexylphosphanyl)piperidine); palladium chloride
• Synonyms: Dichlorobis(dicyclohexyl-1-piperidinylphosphine)palladium(II)

Database IDs

• CAS Number: 1227935-55-8
• PubChem SID: 164236475
• PubChem CID: 46211717

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2128675
• LogD (pH = 7.4): 3.2239509
• Log P: 3.8917
• Molar Refractivity: 84.7128 cm^3
• Polarizability: 34.124702 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false