1-(5-piperazin-1-ylhexan-2-yl)-4-propan-2-ylpiperazine

C17H36N4 — CID 155105121

IUPAC1-(5-piperazin-1-ylhexan-2-yl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C(C)CCC(C)N2CCNCC2)CC1
InChIInChI=1S/C17H36N4/c1-15(2)19-11-13-21(14-12-19)17(4)6-5-16(3)20-9-7-18-8-10-20/h15-18H,5-14H2,1-4H3
InChIKeyRSKACAGJCQHIOE-UHFFFAOYSA-N
MW296.50 g/mol
LogP1.47
Rot. Bonds6

About 1-(5-piperazin-1-ylhexan-2-yl)-4-propan-2-ylpiperazine

1-(5-piperazin-1-ylhexan-2-yl)-4-propan-2-ylpiperazine (PubChem CID 155105121) has the molecular formula C17H36N4 and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-(5-piperazin-1-ylhexan-2-yl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(5-piperazin-1-ylhexan-2-yl)-4-propan-2-ylpiperazine
PubChem CID155105121
Molecular FormulaC17H36N4
Molecular Weight296.50 g/mol
Exact Mass296.29
IUPAC Name1-(5-piperazin-1-ylhexan-2-yl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C(C)CCC(C)N2CCNCC2)CC1
InChIInChI=1S/C17H36N4/c1-15(2)19-11-13-21(14-12-19)17(4)6-5-16(3)20-9-7-18-8-10-20/h15-18H,5-14H2,1-4H3
InChIKeyRSKACAGJCQHIOE-UHFFFAOYSA-N
XLogP1.47
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-propan-2-ylpiperazine;vanadium
CID 162375922
N,N-dimethylpropan-2-amine;1-propan-2-ylpiperazine
CID 160682152
(4S)-4-piperazin-1-ylpentan-1-ol
CID 94830721
1-heptan-2-ylpiperazine
CID 61464712
1-(4-methylsulfanylbutan-2-yl)piperazine
CID 112703762
1-methyl-7-propan-2-yl-1,4,7,10-tetrazacyclododecane
CID 145053856
1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158027588
1-ethylpiperazine;1-propan-2-ylpiperazine
CID 70370755
1-[1-(1,4,7-triazonan-1-yl)propan-2-yl]-1,4,7-triazonane
CID 22495519
methane;1-propan-2-ylazepane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 157479144
1-(1-iodopropan-2-yl)piperazine
CID 69349965
1-(4,5-dimethylhexan-2-yl)piperazine
CID 134335221

Frequently Asked Questions

What is the IUPAC name of 1-(5-piperazin-1-ylhexan-2-yl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(5-piperazin-1-ylhexan-2-yl)-4-propan-2-ylpiperazine (CID 155105121) is 1-(5-piperazin-1-ylhexan-2-yl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(5-piperazin-1-ylhexan-2-yl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(5-piperazin-1-ylhexan-2-yl)-4-propan-2-ylpiperazine is CC(C)N1CCN(C(C)CCC(C)N2CCNCC2)CC1.
What is the InChIKey of 1-(5-piperazin-1-ylhexan-2-yl)-4-propan-2-ylpiperazine?
The InChIKey is RSKACAGJCQHIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4/c1-15(2)19-11-13-21(14-12-19)17(4)6-5-16(3)20-9-7-18-8-10-20/h15-18H,5-14H2,1-4H3.
What are the key properties of 1-(5-piperazin-1-ylhexan-2-yl)-4-propan-2-ylpiperazine?
1-(5-piperazin-1-ylhexan-2-yl)-4-propan-2-ylpiperazine has a molecular weight of 296.50 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-piperazin-1-ylhexan-2-yl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 155105121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).