1-(5-bromo-2-chlorophenyl)-2,5-di(propan-2-yl)piperazine

C16H24BrClN2 — CID 64937611

IUPAC1-(5-bromo-2-chlorophenyl)-2,5-di(propan-2-yl)piperazine
SMILESCC(C)C1CN(c2cc(Br)ccc2Cl)C(C(C)C)CN1
InChIInChI=1S/C16H24BrClN2/c1-10(2)14-9-20(16(8-19-14)11(3)4)15-7-12(17)5-6-13(15)18/h5-7,10-11,14,16,19H,8-9H2,1-4H3
InChIKeyGRZIRSMVVVNETE-UHFFFAOYSA-N
MW359.74 g/mol
LogP4.56
Rot. Bonds3

About 1-(5-bromo-2-chlorophenyl)-2,5-di(propan-2-yl)piperazine

1-(5-bromo-2-chlorophenyl)-2,5-di(propan-2-yl)piperazine (PubChem CID 64937611) has the molecular formula C16H24BrClN2 and a molecular weight of 359.74 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-2,5-di(propan-2-yl)piperazine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-2,5-di(propan-2-yl)piperazine
PubChem CID64937611
Molecular FormulaC16H24BrClN2
Molecular Weight359.74 g/mol
Exact Mass358.08
IUPAC Name1-(5-bromo-2-chlorophenyl)-2,5-di(propan-2-yl)piperazine
SMILESCC(C)C1CN(c2cc(Br)ccc2Cl)C(C(C)C)CN1
InChIInChI=1S/C16H24BrClN2/c1-10(2)14-9-20(16(8-19-14)11(3)4)15-7-12(17)5-6-13(15)18/h5-7,10-11,14,16,19H,8-9H2,1-4H3
InChIKeyGRZIRSMVVVNETE-UHFFFAOYSA-N
XLogP4.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.74
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-chlorophenyl)-2-propan-2-yl-5-propylpiperazine
CID 64939430
1-(4-bromo-2,3-dichlorophenyl)-2,5-di(propan-2-yl)piperazine
CID 107794416
1-(4-bromo-2-chlorophenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 64935887
1-(5-chloro-2-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64938084
1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine
CID 64942138
1-(2,4-dimethylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64954676
1-(2-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64952698
1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 64946893
1-(5-bromo-4-fluoro-2-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 107594300
1-(2,4-dibromophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64937159
1-(2-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64952707
1-(2,5-dibromophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64936125

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-2,5-di(propan-2-yl)piperazine?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-2,5-di(propan-2-yl)piperazine (CID 64937611) is 1-(5-bromo-2-chlorophenyl)-2,5-di(propan-2-yl)piperazine.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-2,5-di(propan-2-yl)piperazine?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-2,5-di(propan-2-yl)piperazine is CC(C)C1CN(c2cc(Br)ccc2Cl)C(C(C)C)CN1.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-2,5-di(propan-2-yl)piperazine?
The InChIKey is GRZIRSMVVVNETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrClN2/c1-10(2)14-9-20(16(8-19-14)11(3)4)15-7-12(17)5-6-13(15)18/h5-7,10-11,14,16,19H,8-9H2,1-4H3.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-2,5-di(propan-2-yl)piperazine?
1-(5-bromo-2-chlorophenyl)-2,5-di(propan-2-yl)piperazine has a molecular weight of 359.74 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-2,5-di(propan-2-yl)piperazine is sourced from PubChem (CID 64937611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).