5,5-dimethyl-2-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine

C15H21Cl3N2 — CID 64934504

IUPAC5,5-dimethyl-2-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine
SMILESCC(C)C1CNC(C)(C)CN1c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H21Cl3N2/c1-9(2)14-7-19-15(3,4)8-20(14)13-6-11(17)10(16)5-12(13)18/h5-6,9,14,19H,7-8H2,1-4H3
InChIKeyFLECFOQIXFVKEV-UHFFFAOYSA-N
MW335.71 g/mol
LogP4.86
Rot. Bonds2

About 5,5-dimethyl-2-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine

5,5-dimethyl-2-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine (PubChem CID 64934504) has the molecular formula C15H21Cl3N2 and a molecular weight of 335.71 g/mol. Its IUPAC name is 5,5-dimethyl-2-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine.

Molecular Properties

Compound Name5,5-dimethyl-2-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine
PubChem CID64934504
Molecular FormulaC15H21Cl3N2
Molecular Weight335.71 g/mol
Exact Mass334.08
IUPAC Name5,5-dimethyl-2-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine
SMILESCC(C)C1CNC(C)(C)CN1c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H21Cl3N2/c1-9(2)14-7-19-15(3,4)8-20(14)13-6-11(17)10(16)5-12(13)18/h5-6,9,14,19H,7-8H2,1-4H3
InChIKeyFLECFOQIXFVKEV-UHFFFAOYSA-N
XLogP4.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.71
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine?
The IUPAC name of 5,5-dimethyl-2-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine (CID 64934504) is 5,5-dimethyl-2-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine.
What is the SMILES notation for 5,5-dimethyl-2-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine?
The canonical SMILES for 5,5-dimethyl-2-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine is CC(C)C1CNC(C)(C)CN1c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 5,5-dimethyl-2-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine?
The InChIKey is FLECFOQIXFVKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl3N2/c1-9(2)14-7-19-15(3,4)8-20(14)13-6-11(17)10(16)5-12(13)18/h5-6,9,14,19H,7-8H2,1-4H3.
What are the key properties of 5,5-dimethyl-2-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine?
5,5-dimethyl-2-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine has a molecular weight of 335.71 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine is sourced from PubChem (CID 64934504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).