2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(3+)

C22H28N4Ni+3 — CID 87959854

IUPAC2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(3+)
SMILESCc1cccc(C)c1/N=C1C(=N/c2c(C)cccc2C)/N(C)CCN/1C.[Ni+3]
InChIInChI=1S/C22H28N4.Ni/c1-15-9-7-10-16(2)19(15)23-21-22(26(6)14-13-25(21)5)24-20-17(3)11-8-12-18(20)4;/h7-12H,13-14H2,1-6H3;/q;+3/b23-21-,24-22-;
InChIKeyXVLCDUNEDMNNEC-ZVDJXTMWSA-N
MW407.19 g/mol
LogP4.56
Rot. Bonds2

About 2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(3+)

2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(3+) (PubChem CID 87959854) has the molecular formula C22H28N4Ni+3 and a molecular weight of 407.19 g/mol. Its IUPAC name is 2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(3+).

Molecular Properties

Compound Name2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(3+)
PubChem CID87959854
Molecular FormulaC22H28N4Ni+3
Molecular Weight407.19 g/mol
Exact Mass406.17
IUPAC Name2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(3+)
SMILESCc1cccc(C)c1/N=C1C(=N/c2c(C)cccc2C)/N(C)CCN/1C.[Ni+3]
InChIInChI=1S/C22H28N4.Ni/c1-15-9-7-10-16(2)19(15)23-21-22(26(6)14-13-25(21)5)24-20-17(3)11-8-12-18(20)4;/h7-12H,13-14H2,1-6H3;/q;+3/b23-21-,24-22-;
InChIKeyXVLCDUNEDMNNEC-ZVDJXTMWSA-N
XLogP4.56
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.19
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(3+)?
The IUPAC name of 2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(3+) (CID 87959854) is 2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(3+).
What is the SMILES notation for 2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(3+)?
The canonical SMILES for 2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(3+) is Cc1cccc(C)c1/N=C1C(=N/c2c(C)cccc2C)/N(C)CCN/1C.[Ni+3].
What is the InChIKey of 2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(3+)?
The InChIKey is XVLCDUNEDMNNEC-ZVDJXTMWSA-N. The full InChI is InChI=1S/C22H28N4.Ni/c1-15-9-7-10-16(2)19(15)23-21-22(26(6)14-13-25(21)5)24-20-17(3)11-8-12-18(20)4;/h7-12H,13-14H2,1-6H3;/q;+3/b23-21-,24-22-;.
What are the key properties of 2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(3+)?
2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(3+) has a molecular weight of 407.19 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(3+) is sourced from PubChem (CID 87959854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).