1-ethyl-1-[4-(1-ethylpiperidin-1-ium-1-yl)cyclohexyl]piperidin-1-ium

C20H40N2+2 — CID 169210130

IUPAC1-ethyl-1-[4-(1-ethylpiperidin-1-ium-1-yl)cyclohexyl]piperidin-1-ium
SMILESCC[N+]1(C2CCC([N+]3(CC)CCCCC3)CC2)CCCCC1
InChIInChI=1S/C20H40N2/c1-3-21(15-7-5-8-16-21)19-11-13-20(14-12-19)22(4-2)17-9-6-10-18-22/h19-20H,3-18H2,1-2H3/q+2
InChIKeyUQYVTZSQLVWGNY-UHFFFAOYSA-N
MW308.55 g/mol
LogP4.34
Rot. Bonds4

About 1-ethyl-1-[4-(1-ethylpiperidin-1-ium-1-yl)cyclohexyl]piperidin-1-ium

1-ethyl-1-[4-(1-ethylpiperidin-1-ium-1-yl)cyclohexyl]piperidin-1-ium (PubChem CID 169210130) has the molecular formula C20H40N2+2 and a molecular weight of 308.55 g/mol. Its IUPAC name is 1-ethyl-1-[4-(1-ethylpiperidin-1-ium-1-yl)cyclohexyl]piperidin-1-ium.

Molecular Properties

Compound Name1-ethyl-1-[4-(1-ethylpiperidin-1-ium-1-yl)cyclohexyl]piperidin-1-ium
PubChem CID169210130
Molecular FormulaC20H40N2+2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Name1-ethyl-1-[4-(1-ethylpiperidin-1-ium-1-yl)cyclohexyl]piperidin-1-ium
SMILESCC[N+]1(C2CCC([N+]3(CC)CCCCC3)CC2)CCCCC1
InChIInChI=1S/C20H40N2/c1-3-21(15-7-5-8-16-21)19-11-13-20(14-12-19)22(4-2)17-9-6-10-18-22/h19-20H,3-18H2,1-2H3/q+2
InChIKeyUQYVTZSQLVWGNY-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.55
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[4-(1-ethylpiperidin-1-ium-1-yl)cyclohexyl]piperidin-1-ium?
The IUPAC name of 1-ethyl-1-[4-(1-ethylpiperidin-1-ium-1-yl)cyclohexyl]piperidin-1-ium (CID 169210130) is 1-ethyl-1-[4-(1-ethylpiperidin-1-ium-1-yl)cyclohexyl]piperidin-1-ium.
What is the SMILES notation for 1-ethyl-1-[4-(1-ethylpiperidin-1-ium-1-yl)cyclohexyl]piperidin-1-ium?
The canonical SMILES for 1-ethyl-1-[4-(1-ethylpiperidin-1-ium-1-yl)cyclohexyl]piperidin-1-ium is CC[N+]1(C2CCC([N+]3(CC)CCCCC3)CC2)CCCCC1.
What is the InChIKey of 1-ethyl-1-[4-(1-ethylpiperidin-1-ium-1-yl)cyclohexyl]piperidin-1-ium?
The InChIKey is UQYVTZSQLVWGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2/c1-3-21(15-7-5-8-16-21)19-11-13-20(14-12-19)22(4-2)17-9-6-10-18-22/h19-20H,3-18H2,1-2H3/q+2.
What are the key properties of 1-ethyl-1-[4-(1-ethylpiperidin-1-ium-1-yl)cyclohexyl]piperidin-1-ium?
1-ethyl-1-[4-(1-ethylpiperidin-1-ium-1-yl)cyclohexyl]piperidin-1-ium has a molecular weight of 308.55 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[4-(1-ethylpiperidin-1-ium-1-yl)cyclohexyl]piperidin-1-ium is sourced from PubChem (CID 169210130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).