1,3-dimethylpiperazin-4-ide;titanium(4+);trichloride

C6H13Cl3N2Ti — CID 22113646

IUPAC1,3-dimethylpiperazin-4-ide;titanium(4+);trichloride
SMILESCC1CN(C)CC[N-]1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C6H13N2.3ClH.Ti/c1-6-5-8(2)4-3-7-6;;;;/h6H,3-5H2,1-2H3;3*1H;/q-1;;;;+4/p-3
InChIKeyLITAGIRXJPOJKF-UHFFFAOYSA-K
MW267.41 g/mol
LogP-8.30
Rot. Bonds

About 1,3-dimethylpiperazin-4-ide;titanium(4+);trichloride

1,3-dimethylpiperazin-4-ide;titanium(4+);trichloride (PubChem CID 22113646) has the molecular formula C6H13Cl3N2Ti and a molecular weight of 267.41 g/mol. Its IUPAC name is 1,3-dimethylpiperazin-4-ide;titanium(4+);trichloride.

Molecular Properties

Compound Name1,3-dimethylpiperazin-4-ide;titanium(4+);trichloride
PubChem CID22113646
Molecular FormulaC6H13Cl3N2Ti
Molecular Weight267.41 g/mol
Exact Mass265.96
IUPAC Name1,3-dimethylpiperazin-4-ide;titanium(4+);trichloride
SMILESCC1CN(C)CC[N-]1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C6H13N2.3ClH.Ti/c1-6-5-8(2)4-3-7-6;;;;/h6H,3-5H2,1-2H3;3*1H;/q-1;;;;+4/p-3
InChIKeyLITAGIRXJPOJKF-UHFFFAOYSA-K
XLogP-8.30
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 5-8.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpiperazin-4-ide;titanium(4+);trichloride?
The IUPAC name of 1,3-dimethylpiperazin-4-ide;titanium(4+);trichloride (CID 22113646) is 1,3-dimethylpiperazin-4-ide;titanium(4+);trichloride.
What is the SMILES notation for 1,3-dimethylpiperazin-4-ide;titanium(4+);trichloride?
The canonical SMILES for 1,3-dimethylpiperazin-4-ide;titanium(4+);trichloride is CC1CN(C)CC[N-]1.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of 1,3-dimethylpiperazin-4-ide;titanium(4+);trichloride?
The InChIKey is LITAGIRXJPOJKF-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H13N2.3ClH.Ti/c1-6-5-8(2)4-3-7-6;;;;/h6H,3-5H2,1-2H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of 1,3-dimethylpiperazin-4-ide;titanium(4+);trichloride?
1,3-dimethylpiperazin-4-ide;titanium(4+);trichloride has a molecular weight of 267.41 g/mol, XLogP of -8.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpiperazin-4-ide;titanium(4+);trichloride is sourced from PubChem (CID 22113646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).