1-(2,5-dibromophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine

C17H26Br2N2 — CID 64936125

IUPAC1-(2,5-dibromophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
SMILESCC(C)CC1CN(c2cc(Br)ccc2Br)C(C(C)C)CN1
InChIInChI=1S/C17H26Br2N2/c1-11(2)7-14-10-21(17(9-20-14)12(3)4)16-8-13(18)5-6-15(16)19/h5-6,8,11-12,14,17,20H,7,9-10H2,1-4H3
InChIKeyKMNNYJNZTQHZPT-UHFFFAOYSA-N
MW418.22 g/mol
LogP5.06
Rot. Bonds4

About 1-(2,5-dibromophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine

1-(2,5-dibromophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine (PubChem CID 64936125) has the molecular formula C17H26Br2N2 and a molecular weight of 418.22 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
PubChem CID64936125
Molecular FormulaC17H26Br2N2
Molecular Weight418.22 g/mol
Exact Mass416.05
IUPAC Name1-(2,5-dibromophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
SMILESCC(C)CC1CN(c2cc(Br)ccc2Br)C(C(C)C)CN1
InChIInChI=1S/C17H26Br2N2/c1-11(2)7-14-10-21(17(9-20-14)12(3)4)16-8-13(18)5-6-15(16)19/h5-6,8,11-12,14,17,20H,7,9-10H2,1-4H3
InChIKeyKMNNYJNZTQHZPT-UHFFFAOYSA-N
XLogP5.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.22
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-methylphenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 107639844
1-(3-bromo-4-methylphenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64940242
1-(3-bromo-4-fluorophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 104781751
1-(2,4-dibromophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64946822
1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 64946893
1-(5-bromo-2-chlorophenyl)-2-propan-2-yl-5-propylpiperazine
CID 64939430
1-(4-bromo-2-chlorophenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 64935887
1-(4-bromo-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64934509
1-(2,5-dibromophenyl)-2-propan-2-ylpiperazine
CID 64931294
1-(4-ethylphenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64930058
1-(2,4-dibromophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64937159
1-(5-bromo-2-chlorophenyl)-2,5-di(propan-2-yl)piperazine
CID 64937611

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine?
The IUPAC name of 1-(2,5-dibromophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine (CID 64936125) is 1-(2,5-dibromophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2,5-dibromophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(2,5-dibromophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine is CC(C)CC1CN(c2cc(Br)ccc2Br)C(C(C)C)CN1.
What is the InChIKey of 1-(2,5-dibromophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine?
The InChIKey is KMNNYJNZTQHZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Br2N2/c1-11(2)7-14-10-21(17(9-20-14)12(3)4)16-8-13(18)5-6-15(16)19/h5-6,8,11-12,14,17,20H,7,9-10H2,1-4H3.
What are the key properties of 1-(2,5-dibromophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine?
1-(2,5-dibromophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine has a molecular weight of 418.22 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 64936125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).