1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide

C14H23BrN4 — CID 118703673

IUPAC1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
SMILESBr.c1ccc(N2CCNCC2)c(N2CCNCC2)c1
InChIInChI=1S/C14H22N4.BrH/c1-2-4-14(18-11-7-16-8-12-18)13(3-1)17-9-5-15-6-10-17;/h1-4,15-16H,5-12H2;1H
InChIKeyXTCTVJHRNHGOIY-UHFFFAOYSA-N
MW327.27 g/mol
LogP1.08
Rot. Bonds2

About 1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide

1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide (PubChem CID 118703673) has the molecular formula C14H23BrN4 and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide.

Molecular Properties

Compound Name1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
PubChem CID118703673
Molecular FormulaC14H23BrN4
Molecular Weight327.27 g/mol
Exact Mass326.11
IUPAC Name1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
SMILESBr.c1ccc(N2CCNCC2)c(N2CCNCC2)c1
InChIInChI=1S/C14H22N4.BrH/c1-2-4-14(18-11-7-16-8-12-18)13(3-1)17-9-5-15-6-10-17;/h1-4,15-16H,5-12H2;1H
InChIKeyXTCTVJHRNHGOIY-UHFFFAOYSA-N
XLogP1.08
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide?
The IUPAC name of 1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide (CID 118703673) is 1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide.
What is the SMILES notation for 1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide?
The canonical SMILES for 1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide is Br.c1ccc(N2CCNCC2)c(N2CCNCC2)c1.
What is the InChIKey of 1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide?
The InChIKey is XTCTVJHRNHGOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4.BrH/c1-2-4-14(18-11-7-16-8-12-18)13(3-1)17-9-5-15-6-10-17;/h1-4,15-16H,5-12H2;1H.
What are the key properties of 1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide?
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide has a molecular weight of 327.27 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide is sourced from PubChem (CID 118703673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).