dichloroplatinum(2+);bis(4-phenylpiperidin-1-ide)

C22H28Cl2N2Pt — CID 54598558

IUPACdichloroplatinum(2+);bis(4-phenylpiperidin-1-ide)
SMILESCl[Pt+2]Cl.c1ccc(C2CC[N-]CC2)cc1.c1ccc(C2CC[N-]CC2)cc1
InChIInChI=1S/2C11H14N.2ClH.Pt/c2*1-2-4-10(5-3-1)11-6-8-12-9-7-11;;;/h2*1-5,11H,6-9H2;2*1H;/q2*-1;;;+4/p-2
InChIKeyGEJPDXCRSFHWFZ-UHFFFAOYSA-L
MW586.46 g/mol
LogP7.25
Rot. Bonds2

About dichloroplatinum(2+);bis(4-phenylpiperidin-1-ide)

dichloroplatinum(2+);bis(4-phenylpiperidin-1-ide) (PubChem CID 54598558) has the molecular formula C22H28Cl2N2Pt and a molecular weight of 586.46 g/mol. Its IUPAC name is dichloroplatinum(2+);bis(4-phenylpiperidin-1-ide).

Molecular Properties

Compound Namedichloroplatinum(2+);bis(4-phenylpiperidin-1-ide)
PubChem CID54598558
Molecular FormulaC22H28Cl2N2Pt
Molecular Weight586.46 g/mol
Exact Mass585.13
IUPAC Namedichloroplatinum(2+);bis(4-phenylpiperidin-1-ide)
SMILESCl[Pt+2]Cl.c1ccc(C2CC[N-]CC2)cc1.c1ccc(C2CC[N-]CC2)cc1
InChIInChI=1S/2C11H14N.2ClH.Pt/c2*1-2-4-10(5-3-1)11-6-8-12-9-7-11;;;/h2*1-5,11H,6-9H2;2*1H;/q2*-1;;;+4/p-2
InChIKeyGEJPDXCRSFHWFZ-UHFFFAOYSA-L
XLogP7.25
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.46
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of dichloroplatinum(2+);bis(4-phenylpiperidin-1-ide)?
The IUPAC name of dichloroplatinum(2+);bis(4-phenylpiperidin-1-ide) (CID 54598558) is dichloroplatinum(2+);bis(4-phenylpiperidin-1-ide).
What is the SMILES notation for dichloroplatinum(2+);bis(4-phenylpiperidin-1-ide)?
The canonical SMILES for dichloroplatinum(2+);bis(4-phenylpiperidin-1-ide) is Cl[Pt+2]Cl.c1ccc(C2CC[N-]CC2)cc1.c1ccc(C2CC[N-]CC2)cc1.
What is the InChIKey of dichloroplatinum(2+);bis(4-phenylpiperidin-1-ide)?
The InChIKey is GEJPDXCRSFHWFZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H14N.2ClH.Pt/c2*1-2-4-10(5-3-1)11-6-8-12-9-7-11;;;/h2*1-5,11H,6-9H2;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of dichloroplatinum(2+);bis(4-phenylpiperidin-1-ide)?
dichloroplatinum(2+);bis(4-phenylpiperidin-1-ide) has a molecular weight of 586.46 g/mol, XLogP of 7.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroplatinum(2+);bis(4-phenylpiperidin-1-ide) is sourced from PubChem (CID 54598558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).