dichlorotitanium;piperazin-4-ide

C4H9Cl2N2Ti- — CID 173283103

IUPACdichlorotitanium;piperazin-4-ide
SMILESC1CNCC[N-]1.Cl[Ti]Cl
InChIInChI=1S/C4H9N2.2ClH.Ti/c1-2-6-4-3-5-1;;;/h5H,1-4H2;2*1H;/q-1;;;+2/p-2
InChIKeyGBLXSOMFZLFNCM-UHFFFAOYSA-L
MW203.90 g/mol
LogP1.34
Rot. Bonds

About dichlorotitanium;piperazin-4-ide

dichlorotitanium;piperazin-4-ide (PubChem CID 173283103) has the molecular formula C4H9Cl2N2Ti- and a molecular weight of 203.90 g/mol. Its IUPAC name is dichlorotitanium;piperazin-4-ide.

Molecular Properties

Compound Namedichlorotitanium;piperazin-4-ide
PubChem CID173283103
Molecular FormulaC4H9Cl2N2Ti-
Molecular Weight203.90 g/mol
Exact Mass202.96
IUPAC Namedichlorotitanium;piperazin-4-ide
SMILESC1CNCC[N-]1.Cl[Ti]Cl
InChIInChI=1S/C4H9N2.2ClH.Ti/c1-2-6-4-3-5-1;;;/h5H,1-4H2;2*1H;/q-1;;;+2/p-2
InChIKeyGBLXSOMFZLFNCM-UHFFFAOYSA-L
XLogP1.34
TPSA26.13 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.90
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze dichlorotitanium;piperazin-4-ide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dichlorotitanium;piperazin-4-ide?
The IUPAC name of dichlorotitanium;piperazin-4-ide (CID 173283103) is dichlorotitanium;piperazin-4-ide.
What is the SMILES notation for dichlorotitanium;piperazin-4-ide?
The canonical SMILES for dichlorotitanium;piperazin-4-ide is C1CNCC[N-]1.Cl[Ti]Cl.
What is the InChIKey of dichlorotitanium;piperazin-4-ide?
The InChIKey is GBLXSOMFZLFNCM-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H9N2.2ClH.Ti/c1-2-6-4-3-5-1;;;/h5H,1-4H2;2*1H;/q-1;;;+2/p-2.
What are the key properties of dichlorotitanium;piperazin-4-ide?
dichlorotitanium;piperazin-4-ide has a molecular weight of 203.90 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotitanium;piperazin-4-ide is sourced from PubChem (CID 173283103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).