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

C15H21Cl3N2 — CID 64937128

IUPAC2-ethyl-5-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine
SMILESCCC1CNC(C(C)C)CN1c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H21Cl3N2/c1-4-10-7-19-14(9(2)3)8-20(10)15-6-12(17)11(16)5-13(15)18/h5-6,9-10,14,19H,4,7-8H2,1-3H3
InChIKeyDJTJFGBZDXUEBL-UHFFFAOYSA-N
MW335.71 g/mol
LogP4.86
Rot. Bonds3

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

2-ethyl-5-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine (PubChem CID 64937128) has the molecular formula C15H21Cl3N2 and a molecular weight of 335.71 g/mol. Its IUPAC name is 2-ethyl-5-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine.

Molecular Properties

Compound Name2-ethyl-5-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine
PubChem CID64937128
Molecular FormulaC15H21Cl3N2
Molecular Weight335.71 g/mol
Exact Mass334.08
IUPAC Name2-ethyl-5-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine
SMILESCCC1CNC(C(C)C)CN1c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H21Cl3N2/c1-4-10-7-19-14(9(2)3)8-20(10)15-6-12(17)11(16)5-13(15)18/h5-6,9-10,14,19H,4,7-8H2,1-3H3
InChIKeyDJTJFGBZDXUEBL-UHFFFAOYSA-N
XLogP4.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

2-ethyl-1-(2-fluoro-5-methylphenyl)-5-propan-2-ylpiperazine
CID 64952890
1-(2-chloro-6-methylphenyl)-2-ethyl-5-propan-2-ylpiperazine
CID 66255306
2-ethyl-1-(4-iodophenyl)-5-propan-2-ylpiperazine
CID 64936947
1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propan-2-ylpiperazine
CID 81288854
5-butan-2-yl-1-(2-chlorophenyl)-2-ethylpiperazine
CID 64937522
5-butan-2-yl-1-(4-chloro-2-iodophenyl)-2-ethylpiperazine
CID 107640020
1-(4-tert-butylphenyl)-2-ethyl-5-propan-2-ylpiperazine
CID 64952670
2-ethyl-1-(3-ethylphenyl)-5-propan-2-ylpiperazine
CID 64953104
2-ethyl-1-(4-methoxyphenyl)-5-propan-2-ylpiperazine
CID 64954255
2-ethyl-5-propan-2-yl-1-thiophen-3-ylpiperazine
CID 66354997
2-ethyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpiperazine
CID 64832516
5-tert-butyl-1-(2-chloro-5-methylphenyl)-2-ethylpiperazine
CID 107639962

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine?
The IUPAC name of 2-ethyl-5-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine (CID 64937128) is 2-ethyl-5-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine.
What is the SMILES notation for 2-ethyl-5-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine?
The canonical SMILES for 2-ethyl-5-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine is CCC1CNC(C(C)C)CN1c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-ethyl-5-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine?
The InChIKey is DJTJFGBZDXUEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl3N2/c1-4-10-7-19-14(9(2)3)8-20(10)15-6-12(17)11(16)5-13(15)18/h5-6,9-10,14,19H,4,7-8H2,1-3H3.
What are the key properties of 2-ethyl-5-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine?
2-ethyl-5-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine has a molecular weight of 335.71 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine is sourced from PubChem (CID 64937128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).