1-pyridin-2-yl-4-[(4-pyridin-2-ylpiperazin-1-yl)disulfanyl]piperazine

C18H24N6S2 — CID 3009821

IUPAC1-pyridin-2-yl-4-[(4-pyridin-2-ylpiperazin-1-yl)disulfanyl]piperazine
SMILESc1ccc(N2CCN(SSN3CCN(c4ccccn4)CC3)CC2)nc1
InChIInChI=1S/C18H24N6S2/c1-3-7-19-17(5-1)21-9-13-23(14-10-21)25-26-24-15-11-22(12-16-24)18-6-2-4-8-20-18/h1-8H,9-16H2
InChIKeyVWIPZBFABUEVOC-UHFFFAOYSA-N
MW388.57 g/mol
LogP2.63
Rot. Bonds5

About 1-pyridin-2-yl-4-[(4-pyridin-2-ylpiperazin-1-yl)disulfanyl]piperazine

1-pyridin-2-yl-4-[(4-pyridin-2-ylpiperazin-1-yl)disulfanyl]piperazine (PubChem CID 3009821) has the molecular formula C18H24N6S2 and a molecular weight of 388.57 g/mol. Its IUPAC name is 1-pyridin-2-yl-4-[(4-pyridin-2-ylpiperazin-1-yl)disulfanyl]piperazine.

Molecular Properties

Compound Name1-pyridin-2-yl-4-[(4-pyridin-2-ylpiperazin-1-yl)disulfanyl]piperazine
PubChem CID3009821
Molecular FormulaC18H24N6S2
Molecular Weight388.57 g/mol
Exact Mass388.15
IUPAC Name1-pyridin-2-yl-4-[(4-pyridin-2-ylpiperazin-1-yl)disulfanyl]piperazine
SMILESc1ccc(N2CCN(SSN3CCN(c4ccccn4)CC3)CC2)nc1
InChIInChI=1S/C18H24N6S2/c1-3-7-19-17(5-1)21-9-13-23(14-10-21)25-26-24-15-11-22(12-16-24)18-6-2-4-8-20-18/h1-8H,9-16H2
InChIKeyVWIPZBFABUEVOC-UHFFFAOYSA-N
XLogP2.63
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.57
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2,2'-Dipyridylamine
CID 14547
2,4,6-Tris(2'-pyridyl)-1,3,5-triazine
CID 77258
1-(2-Pyridyl)piperazine
CID 94459
1-(2-Phenethyl)-4-(2-pyridyl)piperazine
CID 11000026
1,6-Bis(4-(pyridin-2-yl)piperazin-1-yl)hexane
CID 11524350
1-(3-Fluoropyridin-2-yl)-4-methylpiperazine
CID 13298530
1-(3-Phenylpropyl)-4-pyridin-2-ylpiperazine
CID 667735
1-(3-Phenyl-cyclohex-3-enylmethyl)-4-pyridin-2-yl-piperazine
CID 9797733
1-Methyl-4-(pyridin-2-yl)piperazine
CID 14954817
N~1~,N~1~-Dimethyl-N~2~-octyl-N~2~-(pyridin-2-yl)ethane-1,2-diamine
CID 212055
1-[2-((S)-4-Phenyl-cyclohex-3-enyl)-ethyl]-4-pyridin-2-yl-piperazine
CID 10904165
PD-135222
CID 15079632

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-4-[(4-pyridin-2-ylpiperazin-1-yl)disulfanyl]piperazine?
The IUPAC name of 1-pyridin-2-yl-4-[(4-pyridin-2-ylpiperazin-1-yl)disulfanyl]piperazine (CID 3009821) is 1-pyridin-2-yl-4-[(4-pyridin-2-ylpiperazin-1-yl)disulfanyl]piperazine.
What is the SMILES notation for 1-pyridin-2-yl-4-[(4-pyridin-2-ylpiperazin-1-yl)disulfanyl]piperazine?
The canonical SMILES for 1-pyridin-2-yl-4-[(4-pyridin-2-ylpiperazin-1-yl)disulfanyl]piperazine is c1ccc(N2CCN(SSN3CCN(c4ccccn4)CC3)CC2)nc1.
What is the InChIKey of 1-pyridin-2-yl-4-[(4-pyridin-2-ylpiperazin-1-yl)disulfanyl]piperazine?
The InChIKey is VWIPZBFABUEVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6S2/c1-3-7-19-17(5-1)21-9-13-23(14-10-21)25-26-24-15-11-22(12-16-24)18-6-2-4-8-20-18/h1-8H,9-16H2.
What are the key properties of 1-pyridin-2-yl-4-[(4-pyridin-2-ylpiperazin-1-yl)disulfanyl]piperazine?
1-pyridin-2-yl-4-[(4-pyridin-2-ylpiperazin-1-yl)disulfanyl]piperazine has a molecular weight of 388.57 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-4-[(4-pyridin-2-ylpiperazin-1-yl)disulfanyl]piperazine is sourced from PubChem (CID 3009821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).