1-[1,1,2-tri(piperazin-1-yl)pentan-2-yl]piperazine

C21H44N8 — CID 57147862

IUPAC1-[1,1,2-tri(piperazin-1-yl)pentan-2-yl]piperazine
SMILESCCCC(C(N1CCNCC1)N1CCNCC1)(N1CCNCC1)N1CCNCC1
InChIInChI=1S/C21H44N8/c1-2-3-21(28-16-8-24-9-17-28,29-18-10-25-11-19-29)20(26-12-4-22-5-13-26)27-14-6-23-7-15-27/h20,22-25H,2-19H2,1H3
InChIKeyFSPSBLYNKIINCS-UHFFFAOYSA-N
MW408.64 g/mol
LogP-1.57
Rot. Bonds7

About 1-[1,1,2-tri(piperazin-1-yl)pentan-2-yl]piperazine

1-[1,1,2-tri(piperazin-1-yl)pentan-2-yl]piperazine (PubChem CID 57147862) has the molecular formula C21H44N8 and a molecular weight of 408.64 g/mol. Its IUPAC name is 1-[1,1,2-tri(piperazin-1-yl)pentan-2-yl]piperazine.

Molecular Properties

Compound Name1-[1,1,2-tri(piperazin-1-yl)pentan-2-yl]piperazine
PubChem CID57147862
Molecular FormulaC21H44N8
Molecular Weight408.64 g/mol
Exact Mass408.37
IUPAC Name1-[1,1,2-tri(piperazin-1-yl)pentan-2-yl]piperazine
SMILESCCCC(C(N1CCNCC1)N1CCNCC1)(N1CCNCC1)N1CCNCC1
InChIInChI=1S/C21H44N8/c1-2-3-21(28-16-8-24-9-17-28,29-18-10-25-11-19-29)20(26-12-4-22-5-13-26)27-14-6-23-7-15-27/h20,22-25H,2-19H2,1H3
InChIKeyFSPSBLYNKIINCS-UHFFFAOYSA-N
XLogP-1.57
TPSA61.08 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.64
LogP ≤ 5-1.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

N-butyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-7-amine
CID 12211304
N-pentyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-7-amine
CID 12211305
N-hexyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-7-amine
CID 12211306
N-heptyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-7-amine
CID 20360141
1,3,5-Tris(1-ethylpiperidin-3-yl)-1,3,5-triazinane
CID 20386275
2-Piperidin-1-yl-1-(4-piperidin-1-ylpiperidin-2-yl)piperidine
CID 53963297
1,3,5-Tris(2-piperazin-1-ylethyl)-1,3,5-triazinane
CID 59307212
1-(2-Piperazin-1-ylethyl)piperazine;1-(1-piperazin-1-ylpropan-2-yl)piperazine
CID 67764532
2-[1,3-Dimethyl-5-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinan-2-yl]-1,3-dimethyl-5-(2,2,6-trimethylpiperidin-4-yl)-1,3,5-triazinane
CID 71175508
6-piperazin-1-yl-N-(6-piperazin-1-ylhexyl)hexan-1-amine;5-piperazin-1-yl-N-(5-piperazin-1-ylpentyl)pentan-1-amine
CID 89655246
3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine;N-methyl-2-piperazin-1-ylethanamine;N-methyl-3-piperazin-1-ylpropan-1-amine;1-methylpiperidine
CID 90988077
1,4,7,10-Tetrakis(piperidin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane
CID 118551575

Frequently Asked Questions

What is the IUPAC name of 1-[1,1,2-tri(piperazin-1-yl)pentan-2-yl]piperazine?
The IUPAC name of 1-[1,1,2-tri(piperazin-1-yl)pentan-2-yl]piperazine (CID 57147862) is 1-[1,1,2-tri(piperazin-1-yl)pentan-2-yl]piperazine.
What is the SMILES notation for 1-[1,1,2-tri(piperazin-1-yl)pentan-2-yl]piperazine?
The canonical SMILES for 1-[1,1,2-tri(piperazin-1-yl)pentan-2-yl]piperazine is CCCC(C(N1CCNCC1)N1CCNCC1)(N1CCNCC1)N1CCNCC1.
What is the InChIKey of 1-[1,1,2-tri(piperazin-1-yl)pentan-2-yl]piperazine?
The InChIKey is FSPSBLYNKIINCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N8/c1-2-3-21(28-16-8-24-9-17-28,29-18-10-25-11-19-29)20(26-12-4-22-5-13-26)27-14-6-23-7-15-27/h20,22-25H,2-19H2,1H3.
What are the key properties of 1-[1,1,2-tri(piperazin-1-yl)pentan-2-yl]piperazine?
1-[1,1,2-tri(piperazin-1-yl)pentan-2-yl]piperazine has a molecular weight of 408.64 g/mol, XLogP of -1.57, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,2-tri(piperazin-1-yl)pentan-2-yl]piperazine is sourced from PubChem (CID 57147862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).