bis(tert-butyl piperazin-4-ide-1-carboxylate);carbanide;chloroplatinum

C19H37ClN4O4Pt-3 — CID 58718313

IUPACbis(tert-butyl piperazin-4-ide-1-carboxylate);carbanide;chloroplatinum
SMILESCC(C)(C)OC(=O)N1CC[N-]CC1.CC(C)(C)OC(=O)N1CC[N-]CC1.Cl[Pt].[CH3-]
InChIInChI=1S/2C9H17N2O2.CH3.ClH.Pt/c2*1-9(2,3)13-8(12)11-6-4-10-5-7-11;;;/h2*4-7H2,1-3H3;1H3;1H;/q3*-1;;+1/p-1
InChIKeyJFDLMTJXOVMNIS-UHFFFAOYSA-M
MW616.06 g/mol
LogP4.36
Rot. Bonds

About bis(tert-butyl piperazin-4-ide-1-carboxylate);carbanide;chloroplatinum

bis(tert-butyl piperazin-4-ide-1-carboxylate);carbanide;chloroplatinum (PubChem CID 58718313) has the molecular formula C19H37ClN4O4Pt-3 and a molecular weight of 616.06 g/mol. Its IUPAC name is bis(tert-butyl piperazin-4-ide-1-carboxylate);carbanide;chloroplatinum.

Molecular Properties

Compound Namebis(tert-butyl piperazin-4-ide-1-carboxylate);carbanide;chloroplatinum
PubChem CID58718313
Molecular FormulaC19H37ClN4O4Pt-3
Molecular Weight616.06 g/mol
Exact Mass615.22
IUPAC Namebis(tert-butyl piperazin-4-ide-1-carboxylate);carbanide;chloroplatinum
SMILESCC(C)(C)OC(=O)N1CC[N-]CC1.CC(C)(C)OC(=O)N1CC[N-]CC1.Cl[Pt].[CH3-]
InChIInChI=1S/2C9H17N2O2.CH3.ClH.Pt/c2*1-9(2,3)13-8(12)11-6-4-10-5-7-11;;;/h2*4-7H2,1-3H3;1H3;1H;/q3*-1;;+1/p-1
InChIKeyJFDLMTJXOVMNIS-UHFFFAOYSA-M
XLogP4.36
TPSA87.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500616.06
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(tert-butyl piperazin-4-ide-1-carboxylate);carbanide;chloroplatinum?
The IUPAC name of bis(tert-butyl piperazin-4-ide-1-carboxylate);carbanide;chloroplatinum (CID 58718313) is bis(tert-butyl piperazin-4-ide-1-carboxylate);carbanide;chloroplatinum.
What is the SMILES notation for bis(tert-butyl piperazin-4-ide-1-carboxylate);carbanide;chloroplatinum?
The canonical SMILES for bis(tert-butyl piperazin-4-ide-1-carboxylate);carbanide;chloroplatinum is CC(C)(C)OC(=O)N1CC[N-]CC1.CC(C)(C)OC(=O)N1CC[N-]CC1.Cl[Pt].[CH3-].
What is the InChIKey of bis(tert-butyl piperazin-4-ide-1-carboxylate);carbanide;chloroplatinum?
The InChIKey is JFDLMTJXOVMNIS-UHFFFAOYSA-M. The full InChI is InChI=1S/2C9H17N2O2.CH3.ClH.Pt/c2*1-9(2,3)13-8(12)11-6-4-10-5-7-11;;;/h2*4-7H2,1-3H3;1H3;1H;/q3*-1;;+1/p-1.
What are the key properties of bis(tert-butyl piperazin-4-ide-1-carboxylate);carbanide;chloroplatinum?
bis(tert-butyl piperazin-4-ide-1-carboxylate);carbanide;chloroplatinum has a molecular weight of 616.06 g/mol, XLogP of 4.36, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butyl piperazin-4-ide-1-carboxylate);carbanide;chloroplatinum is sourced from PubChem (CID 58718313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).