1-(4-bromo-3-chlorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine

C16H22BrClN2 — CID 107617330

IUPAC1-(4-bromo-3-chlorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine
SMILESCCC1CNC(C)(C2CC2)CN1c1ccc(Br)c(Cl)c1
InChIInChI=1S/C16H22BrClN2/c1-3-12-9-19-16(2,11-4-5-11)10-20(12)13-6-7-14(17)15(18)8-13/h6-8,11-12,19H,3-5,9-10H2,1-2H3
InChIKeyDGXBKBPDXLLFOQ-UHFFFAOYSA-N
MW357.72 g/mol
LogP4.46
Rot. Bonds3

About 1-(4-bromo-3-chlorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine

1-(4-bromo-3-chlorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine (PubChem CID 107617330) has the molecular formula C16H22BrClN2 and a molecular weight of 357.72 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine
PubChem CID107617330
Molecular FormulaC16H22BrClN2
Molecular Weight357.72 g/mol
Exact Mass356.07
IUPAC Name1-(4-bromo-3-chlorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine
SMILESCCC1CNC(C)(C2CC2)CN1c1ccc(Br)c(Cl)c1
InChIInChI=1S/C16H22BrClN2/c1-3-12-9-19-16(2,11-4-5-11)10-20(12)13-6-7-14(17)15(18)8-13/h6-8,11-12,19H,3-5,9-10H2,1-2H3
InChIKeyDGXBKBPDXLLFOQ-UHFFFAOYSA-N
XLogP4.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.72
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine
CID 64935659
9-(4-bromo-3-chlorophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 107617370
5-cyclopropyl-1-(3,5-dichlorophenyl)-2-ethyl-5-methylpiperazine
CID 64933328
5-cyclopropyl-1-(2,4-dichlorophenyl)-2-ethyl-5-methylpiperazine
CID 64934102
5-cyclopropyl-1-(3,5-dimethylphenyl)-2-ethyl-5-methylpiperazine
CID 64932628
5-cyclopropyl-2-ethyl-1-[3-(methoxymethyl)phenyl]-5-methylpiperazine
CID 64946263
1-(3-chloro-2-fluorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine
CID 64934912
1-(3-chloro-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine
CID 64934524
5-cyclopropyl-1-(2,4-dichlorophenyl)-2,5-dimethylpiperazine
CID 64934485
5-cyclopropyl-2-ethyl-5-methyl-1-(2-propylphenyl)piperazine
CID 64945723
4-(4-bromo-3-chlorophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 107617374
1-(3,5-dichlorophenyl)-2-ethyl-5,5-dimethylpiperazine
CID 64935066

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine (CID 107617330) is 1-(4-bromo-3-chlorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine is CCC1CNC(C)(C2CC2)CN1c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine?
The InChIKey is DGXBKBPDXLLFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrClN2/c1-3-12-9-19-16(2,11-4-5-11)10-20(12)13-6-7-14(17)15(18)8-13/h6-8,11-12,19H,3-5,9-10H2,1-2H3.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine?
1-(4-bromo-3-chlorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine has a molecular weight of 357.72 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-5-cyclopropyl-2-ethyl-5-methylpiperazine is sourced from PubChem (CID 107617330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).