bis(1-propylpiperazin-1-ium) dibromide

C14H34Br2N4 — CID 21155996

IUPACbis(1-propylpiperazin-1-ium) dibromide
SMILESCCC[NH+]1CCNCC1.CCC[NH+]1CCNCC1.[Br-].[Br-]
InChIInChI=1S/2C7H16N2.2BrH/c2*1-2-5-9-6-3-8-4-7-9;;/h2*8H,2-7H2,1H3;2*1H
InChIKeyPYTRVOIQDPLYJO-UHFFFAOYSA-N
MW418.26 g/mol
LogP-8.22
Rot. Bonds4

About bis(1-propylpiperazin-1-ium) dibromide

bis(1-propylpiperazin-1-ium) dibromide (PubChem CID 21155996) has the molecular formula C14H34Br2N4 and a molecular weight of 418.26 g/mol. Its IUPAC name is bis(1-propylpiperazin-1-ium) dibromide.

Molecular Properties

Compound Namebis(1-propylpiperazin-1-ium) dibromide
PubChem CID21155996
Molecular FormulaC14H34Br2N4
Molecular Weight418.26 g/mol
Exact Mass416.12
IUPAC Namebis(1-propylpiperazin-1-ium) dibromide
SMILESCCC[NH+]1CCNCC1.CCC[NH+]1CCNCC1.[Br-].[Br-]
InChIInChI=1S/2C7H16N2.2BrH/c2*1-2-5-9-6-3-8-4-7-9;;/h2*8H,2-7H2,1H3;2*1H
InChIKeyPYTRVOIQDPLYJO-UHFFFAOYSA-N
XLogP-8.22
TPSA32.94 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.26
LogP ≤ 5-8.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(1-propylpiperazin-1-ium) dibromide?
The IUPAC name of bis(1-propylpiperazin-1-ium) dibromide (CID 21155996) is bis(1-propylpiperazin-1-ium) dibromide.
What is the SMILES notation for bis(1-propylpiperazin-1-ium) dibromide?
The canonical SMILES for bis(1-propylpiperazin-1-ium) dibromide is CCC[NH+]1CCNCC1.CCC[NH+]1CCNCC1.[Br-].[Br-].
What is the InChIKey of bis(1-propylpiperazin-1-ium) dibromide?
The InChIKey is PYTRVOIQDPLYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H16N2.2BrH/c2*1-2-5-9-6-3-8-4-7-9;;/h2*8H,2-7H2,1H3;2*1H.
What are the key properties of bis(1-propylpiperazin-1-ium) dibromide?
bis(1-propylpiperazin-1-ium) dibromide has a molecular weight of 418.26 g/mol, XLogP of -8.22, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-propylpiperazin-1-ium) dibromide is sourced from PubChem (CID 21155996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).