1-ethyl-1-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium

C16H34N2+2 — CID 67972683

IUPAC1-ethyl-1-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium
SMILESCC[N+]1(CC[N+]2(CC)CCCCC2)CCCCC1
InChIInChI=1S/C16H34N2/c1-3-17(11-7-5-8-12-17)15-16-18(4-2)13-9-6-10-14-18/h3-16H2,1-2H3/q+2
InChIKeyAWJUETDLAMPXIZ-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.03
Rot. Bonds5

About 1-ethyl-1-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium

1-ethyl-1-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium (PubChem CID 67972683) has the molecular formula C16H34N2+2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-ethyl-1-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium.

Molecular Properties

Compound Name1-ethyl-1-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium
PubChem CID67972683
Molecular FormulaC16H34N2+2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-ethyl-1-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium
SMILESCC[N+]1(CC[N+]2(CC)CCCCC2)CCCCC1
InChIInChI=1S/C16H34N2/c1-3-17(11-7-5-8-12-17)15-16-18(4-2)13-9-6-10-14-18/h3-16H2,1-2H3/q+2
InChIKeyAWJUETDLAMPXIZ-UHFFFAOYSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.03
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-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium?
The IUPAC name of 1-ethyl-1-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium (CID 67972683) is 1-ethyl-1-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium.
What is the SMILES notation for 1-ethyl-1-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium?
The canonical SMILES for 1-ethyl-1-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium is CC[N+]1(CC[N+]2(CC)CCCCC2)CCCCC1.
What is the InChIKey of 1-ethyl-1-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium?
The InChIKey is AWJUETDLAMPXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-3-17(11-7-5-8-12-17)15-16-18(4-2)13-9-6-10-14-18/h3-16H2,1-2H3/q+2.
What are the key properties of 1-ethyl-1-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium?
1-ethyl-1-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium has a molecular weight of 254.46 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium is sourced from PubChem (CID 67972683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).