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

C13H18Br2N2 — CID 64931294

IUPAC1-(2,5-dibromophenyl)-2-propan-2-ylpiperazine
SMILESCC(C)C1CNCCN1c1cc(Br)ccc1Br
InChIInChI=1S/C13H18Br2N2/c1-9(2)13-8-16-5-6-17(13)12-7-10(14)3-4-11(12)15/h3-4,7,9,13,16H,5-6,8H2,1-2H3
InChIKeyKVRISMSDWAAYTC-UHFFFAOYSA-N
MW362.11 g/mol
LogP3.65
Rot. Bonds2

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

1-(2,5-dibromophenyl)-2-propan-2-ylpiperazine (PubChem CID 64931294) has the molecular formula C13H18Br2N2 and a molecular weight of 362.11 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-2-propan-2-ylpiperazine
PubChem CID64931294
Molecular FormulaC13H18Br2N2
Molecular Weight362.11 g/mol
Exact Mass359.98
IUPAC Name1-(2,5-dibromophenyl)-2-propan-2-ylpiperazine
SMILESCC(C)C1CNCCN1c1cc(Br)ccc1Br
InChIInChI=1S/C13H18Br2N2/c1-9(2)13-8-16-5-6-17(13)12-7-10(14)3-4-11(12)15/h3-4,7,9,13,16H,5-6,8H2,1-2H3
InChIKeyKVRISMSDWAAYTC-UHFFFAOYSA-N
XLogP3.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.11
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

{2-[(3-Bromophenyl)amino]ethyl}dimethylamine
CID 28581237
N-(3-bromophenyl)-N',N'-diethylpropane-1,3-diamine
CID 44399297
N-(2-bromophenyl)-N',N'-diethylpropane-1,3-diamine
CID 44399494
1-(4-Bromophenyl)piperazine
CID 2735629
1-(3-Bromophenyl)piperazine
CID 2757154
1-(3-Bromo-phenyl)-4-ethyl-piperazine
CID 21614448
N-(2-bromophenyl)piperidin-4-amine
CID 56923529
4-(3-Bromophenyl)-1,1-diethylpiperazin-1-ium iodide
CID 127039016
1-(2-Bromophenyl)piperazine
CID 2757153
5-Bromo-2-(4-methylpiperazin-1-yl)aniline
CID 4961872
1-(3-Bromophenyl)piperazine hydrochloride
CID 12227893
1-(4-Bromophenyl)piperazine hydrochloride
CID 14422838

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-2-propan-2-ylpiperazine?
The IUPAC name of 1-(2,5-dibromophenyl)-2-propan-2-ylpiperazine (CID 64931294) is 1-(2,5-dibromophenyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2,5-dibromophenyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(2,5-dibromophenyl)-2-propan-2-ylpiperazine is CC(C)C1CNCCN1c1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromophenyl)-2-propan-2-ylpiperazine?
The InChIKey is KVRISMSDWAAYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N2/c1-9(2)13-8-16-5-6-17(13)12-7-10(14)3-4-11(12)15/h3-4,7,9,13,16H,5-6,8H2,1-2H3.
What are the key properties of 1-(2,5-dibromophenyl)-2-propan-2-ylpiperazine?
1-(2,5-dibromophenyl)-2-propan-2-ylpiperazine has a molecular weight of 362.11 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 64931294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).