1-cyclooctyl-4-methylpiperazine-1,4-diium

C13H28N2+2 — CID 6938601

IUPAC1-cyclooctyl-4-methylpiperazine-1,4-diium
SMILESC[NH+]1CC[NH+](C2CCCCCCC2)CC1
InChIInChI=1S/C13H26N2/c1-14-9-11-15(12-10-14)13-7-5-3-2-4-6-8-13/h13H,2-12H2,1H3/p+2
InChIKeyFWNIAWMUVGGOHJ-UHFFFAOYSA-P
MW212.38 g/mol
LogP-0.49
Rot. Bonds1

About 1-cyclooctyl-4-methylpiperazine-1,4-diium

1-cyclooctyl-4-methylpiperazine-1,4-diium (PubChem CID 6938601) has the molecular formula C13H28N2+2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-cyclooctyl-4-methylpiperazine-1,4-diium.

Molecular Properties

Compound Name1-cyclooctyl-4-methylpiperazine-1,4-diium
PubChem CID6938601
Molecular FormulaC13H28N2+2
Molecular Weight212.38 g/mol
Exact Mass212.22
IUPAC Name1-cyclooctyl-4-methylpiperazine-1,4-diium
SMILESC[NH+]1CC[NH+](C2CCCCCCC2)CC1
InChIInChI=1S/C13H26N2/c1-14-9-11-15(12-10-14)13-7-5-3-2-4-6-8-13/h13H,2-12H2,1H3/p+2
InChIKeyFWNIAWMUVGGOHJ-UHFFFAOYSA-P
XLogP-0.49
TPSA8.88 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-dicyclohexylpiperazine-1,4-diium
CID 4743451
1-methyl-4-[(1S,3R)-3-methylcyclopentyl]piperazine-1,4-diium
CID 7448472
1-(2-adamantyl)-4-cycloheptylpiperazine-1,4-diium
CID 6981620
(1-cyclopentylpiperidin-1-ium-4-yl)azanium
CID 7183175
1-[(1R,3R)-3-methylcyclohexyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium
CID 7410064
2-methyl-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium
CID 3758594
1-cyclohexylpiperidin-1-ium;2,2,2-trifluoroacetate
CID 67340942
1-cyclooctyl-4-ethylsulfonylpiperazin-1-ium
CID 4745813
1-cycloheptyl-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium
CID 7120136
4-cyclodecyl-2,6-dimethylmorpholin-4-ium
CID 23167553
1-(3-methylcyclohexyl)pyrrolidin-1-ium hydroxide
CID 159786967
1,2,3,4,5,6,7,8,9,9a-decahydropyrido[1,2-a]pyrazine-2,5-diium
CID 4711694

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-4-methylpiperazine-1,4-diium?
The IUPAC name of 1-cyclooctyl-4-methylpiperazine-1,4-diium (CID 6938601) is 1-cyclooctyl-4-methylpiperazine-1,4-diium.
What is the SMILES notation for 1-cyclooctyl-4-methylpiperazine-1,4-diium?
The canonical SMILES for 1-cyclooctyl-4-methylpiperazine-1,4-diium is C[NH+]1CC[NH+](C2CCCCCCC2)CC1.
What is the InChIKey of 1-cyclooctyl-4-methylpiperazine-1,4-diium?
The InChIKey is FWNIAWMUVGGOHJ-UHFFFAOYSA-P. The full InChI is InChI=1S/C13H26N2/c1-14-9-11-15(12-10-14)13-7-5-3-2-4-6-8-13/h13H,2-12H2,1H3/p+2.
What are the key properties of 1-cyclooctyl-4-methylpiperazine-1,4-diium?
1-cyclooctyl-4-methylpiperazine-1,4-diium has a molecular weight of 212.38 g/mol, XLogP of -0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-4-methylpiperazine-1,4-diium is sourced from PubChem (CID 6938601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).