1,4-dicyclohexylpiperazine-1,4-diium

C16H32N2+2 — CID 4743451

IUPAC1,4-dicyclohexylpiperazine-1,4-diium
SMILESC1CCC([NH+]2CC[NH+](C3CCCCC3)CC2)CC1
InChIInChI=1S/C16H30N2/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h15-16H,1-14H2/p+2
InChIKeyPMKYZLGUIDMJBM-UHFFFAOYSA-P
MW252.45 g/mol
LogP0.44
Rot. Bonds2

About 1,4-dicyclohexylpiperazine-1,4-diium

1,4-dicyclohexylpiperazine-1,4-diium (PubChem CID 4743451) has the molecular formula C16H32N2+2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1,4-dicyclohexylpiperazine-1,4-diium.

Molecular Properties

Compound Name1,4-dicyclohexylpiperazine-1,4-diium
PubChem CID4743451
Molecular FormulaC16H32N2+2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1,4-dicyclohexylpiperazine-1,4-diium
SMILESC1CCC([NH+]2CC[NH+](C3CCCCC3)CC2)CC1
InChIInChI=1S/C16H30N2/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h15-16H,1-14H2/p+2
InChIKeyPMKYZLGUIDMJBM-UHFFFAOYSA-P
XLogP0.44
TPSA8.88 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclooctyl-4-methylpiperazine-1,4-diium
CID 6938601
1-(2-adamantyl)-4-cycloheptylpiperazine-1,4-diium
CID 6981620
(1-cyclopentylpiperidin-1-ium-4-yl)azanium
CID 7183175
1-cyclohexylpiperidin-1-ium;2,2,2-trifluoroacetate
CID 67340942
1-cycloheptyl-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium
CID 7120136
1-[(2-chlorophenyl)methyl]-4-cycloheptylpiperazine-1,4-diium
CID 2055176
4-cyclodecyl-2,6-dimethylmorpholin-4-ium
CID 23167553
1-[(1R,3R)-3-methylcyclohexyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium
CID 7410064
1-cycloheptyl-4-[(4-ethoxyphenyl)methyl]piperazine-1,4-diium
CID 4745774
2-methyl-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium
CID 3758594
1,2,3,4,5,6,7,8,9,9a-decahydropyrido[1,2-a]pyrazine-2,5-diium
CID 4711694
1-cyclooctyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
CID 7441354

Frequently Asked Questions

What is the IUPAC name of 1,4-dicyclohexylpiperazine-1,4-diium?
The IUPAC name of 1,4-dicyclohexylpiperazine-1,4-diium (CID 4743451) is 1,4-dicyclohexylpiperazine-1,4-diium.
What is the SMILES notation for 1,4-dicyclohexylpiperazine-1,4-diium?
The canonical SMILES for 1,4-dicyclohexylpiperazine-1,4-diium is C1CCC([NH+]2CC[NH+](C3CCCCC3)CC2)CC1.
What is the InChIKey of 1,4-dicyclohexylpiperazine-1,4-diium?
The InChIKey is PMKYZLGUIDMJBM-UHFFFAOYSA-P. The full InChI is InChI=1S/C16H30N2/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h15-16H,1-14H2/p+2.
What are the key properties of 1,4-dicyclohexylpiperazine-1,4-diium?
1,4-dicyclohexylpiperazine-1,4-diium has a molecular weight of 252.45 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dicyclohexylpiperazine-1,4-diium is sourced from PubChem (CID 4743451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).