bis(4-tert-butylpiperidin-1-ide);oxalic acid;platinum(2+)

C20H38N2O4Pt — CID 54602544

IUPACbis(4-tert-butylpiperidin-1-ide);oxalic acid;platinum(2+)
SMILESCC(C)(C)C1CC[N-]CC1.CC(C)(C)C1CC[N-]CC1.O=C(O)C(=O)O.[Pt+2]
InChIInChI=1S/2C9H18N.C2H2O4.Pt/c2*1-9(2,3)8-4-6-10-7-5-8;3-1(4)2(5)6;/h2*8H,4-7H2,1-3H3;(H,3,4)(H,5,6);/q2*-1;;+2
InChIKeyBQSIOELYSGVATO-UHFFFAOYSA-N
MW565.61 g/mol
LogP4.79
Rot. Bonds

About bis(4-tert-butylpiperidin-1-ide);oxalic acid;platinum(2+)

bis(4-tert-butylpiperidin-1-ide);oxalic acid;platinum(2+) (PubChem CID 54602544) has the molecular formula C20H38N2O4Pt and a molecular weight of 565.61 g/mol. Its IUPAC name is bis(4-tert-butylpiperidin-1-ide);oxalic acid;platinum(2+).

Molecular Properties

Compound Namebis(4-tert-butylpiperidin-1-ide);oxalic acid;platinum(2+)
PubChem CID54602544
Molecular FormulaC20H38N2O4Pt
Molecular Weight565.61 g/mol
Exact Mass565.25
IUPAC Namebis(4-tert-butylpiperidin-1-ide);oxalic acid;platinum(2+)
SMILESCC(C)(C)C1CC[N-]CC1.CC(C)(C)C1CC[N-]CC1.O=C(O)C(=O)O.[Pt+2]
InChIInChI=1S/2C9H18N.C2H2O4.Pt/c2*1-9(2,3)8-4-6-10-7-5-8;3-1(4)2(5)6;/h2*8H,4-7H2,1-3H3;(H,3,4)(H,5,6);/q2*-1;;+2
InChIKeyBQSIOELYSGVATO-UHFFFAOYSA-N
XLogP4.79
TPSA102.80 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.61
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butylpiperidin-1-ide);oxalic acid;platinum(2+)?
The IUPAC name of bis(4-tert-butylpiperidin-1-ide);oxalic acid;platinum(2+) (CID 54602544) is bis(4-tert-butylpiperidin-1-ide);oxalic acid;platinum(2+).
What is the SMILES notation for bis(4-tert-butylpiperidin-1-ide);oxalic acid;platinum(2+)?
The canonical SMILES for bis(4-tert-butylpiperidin-1-ide);oxalic acid;platinum(2+) is CC(C)(C)C1CC[N-]CC1.CC(C)(C)C1CC[N-]CC1.O=C(O)C(=O)O.[Pt+2].
What is the InChIKey of bis(4-tert-butylpiperidin-1-ide);oxalic acid;platinum(2+)?
The InChIKey is BQSIOELYSGVATO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H18N.C2H2O4.Pt/c2*1-9(2,3)8-4-6-10-7-5-8;3-1(4)2(5)6;/h2*8H,4-7H2,1-3H3;(H,3,4)(H,5,6);/q2*-1;;+2.
What are the key properties of bis(4-tert-butylpiperidin-1-ide);oxalic acid;platinum(2+)?
bis(4-tert-butylpiperidin-1-ide);oxalic acid;platinum(2+) has a molecular weight of 565.61 g/mol, XLogP of 4.79, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tert-butylpiperidin-1-ide);oxalic acid;platinum(2+) is sourced from PubChem (CID 54602544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).