1-[8-(8-piperazin-1-yloctyldisulfanyl)octyl]piperazine

C24H50N4S2 — CID 10695223

IUPAC1-[8-(8-piperazin-1-yloctyldisulfanyl)octyl]piperazine
SMILESC(CCCCN1CCNCC1)CCCSSCCCCCCCCN1CCNCC1
InChIInChI=1S/C24H50N4S2/c1(5-9-17-27-19-13-25-14-20-27)3-7-11-23-29-30-24-12-8-4-2-6-10-18-28-21-15-26-16-22-28/h25-26H,1-24H2
InChIKeyXJNCATNGDOXOFG-UHFFFAOYSA-N
MW458.83 g/mol
LogP4.86
Rot. Bonds19

About 1-[8-(8-piperazin-1-yloctyldisulfanyl)octyl]piperazine

1-[8-(8-piperazin-1-yloctyldisulfanyl)octyl]piperazine (PubChem CID 10695223) has the molecular formula C24H50N4S2 and a molecular weight of 458.83 g/mol. Its IUPAC name is 1-[8-(8-piperazin-1-yloctyldisulfanyl)octyl]piperazine.

Molecular Properties

Compound Name1-[8-(8-piperazin-1-yloctyldisulfanyl)octyl]piperazine
PubChem CID10695223
Molecular FormulaC24H50N4S2
Molecular Weight458.83 g/mol
Exact Mass458.35
IUPAC Name1-[8-(8-piperazin-1-yloctyldisulfanyl)octyl]piperazine
SMILESC(CCCCN1CCNCC1)CCCSSCCCCCCCCN1CCNCC1
InChIInChI=1S/C24H50N4S2/c1(5-9-17-27-19-13-25-14-20-27)3-7-11-23-29-30-24-12-8-4-2-6-10-18-28-21-15-26-16-22-28/h25-26H,1-24H2
InChIKeyXJNCATNGDOXOFG-UHFFFAOYSA-N
XLogP4.86
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.83
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

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CID 130183651
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ethane;1-octylpiperazine
CID 144711845
diazanium;1-docosylpiperazine;dibromide
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4-piperazin-1-ylbutan-1-amine;dihydrochloride
CID 139993876
1-oct-7-enylpiperazine
CID 67041339
1-(8-methylnonyl)piperazine
CID 170614920
6-piperazin-1-ylhexanoic acid
CID 54010280
3-piperazin-1-ylpropan-1-ol;dihydrochloride
CID 22460998
dimethyl(3-piperazin-1-ylpropylsulfanyl)sulfanium;hydrochloride
CID 172726907
5-(8-piperazin-1-yloctylsulfanyl)-2,3-dihydro-1H-isoindole
CID 154689377

Frequently Asked Questions

What is the IUPAC name of 1-[8-(8-piperazin-1-yloctyldisulfanyl)octyl]piperazine?
The IUPAC name of 1-[8-(8-piperazin-1-yloctyldisulfanyl)octyl]piperazine (CID 10695223) is 1-[8-(8-piperazin-1-yloctyldisulfanyl)octyl]piperazine.
What is the SMILES notation for 1-[8-(8-piperazin-1-yloctyldisulfanyl)octyl]piperazine?
The canonical SMILES for 1-[8-(8-piperazin-1-yloctyldisulfanyl)octyl]piperazine is C(CCCCN1CCNCC1)CCCSSCCCCCCCCN1CCNCC1.
What is the InChIKey of 1-[8-(8-piperazin-1-yloctyldisulfanyl)octyl]piperazine?
The InChIKey is XJNCATNGDOXOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N4S2/c1(5-9-17-27-19-13-25-14-20-27)3-7-11-23-29-30-24-12-8-4-2-6-10-18-28-21-15-26-16-22-28/h25-26H,1-24H2.
What are the key properties of 1-[8-(8-piperazin-1-yloctyldisulfanyl)octyl]piperazine?
1-[8-(8-piperazin-1-yloctyldisulfanyl)octyl]piperazine has a molecular weight of 458.83 g/mol, XLogP of 4.86, 19 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(8-piperazin-1-yloctyldisulfanyl)octyl]piperazine is sourced from PubChem (CID 10695223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).