1-ethyl-1,3-di(nonyl)piperidin-1-ium

C25H52N+ — CID 175583400

IUPAC1-ethyl-1,3-di(nonyl)piperidin-1-ium
SMILESCCCCCCCCCC1CCC[N+](CC)(CCCCCCCCC)C1
InChIInChI=1S/C25H52N/c1-4-7-9-11-13-15-17-20-25-21-19-23-26(6-3,24-25)22-18-16-14-12-10-8-5-2/h25H,4-24H2,1-3H3/q+1
InChIKeyRCUCKDMTGGFWED-UHFFFAOYSA-N
MW366.70 g/mol
LogP8.12
Rot. Bonds17

About 1-ethyl-1,3-di(nonyl)piperidin-1-ium

1-ethyl-1,3-di(nonyl)piperidin-1-ium (PubChem CID 175583400) has the molecular formula C25H52N+ and a molecular weight of 366.70 g/mol. Its IUPAC name is 1-ethyl-1,3-di(nonyl)piperidin-1-ium.

Molecular Properties

Compound Name1-ethyl-1,3-di(nonyl)piperidin-1-ium
PubChem CID175583400
Molecular FormulaC25H52N+
Molecular Weight366.70 g/mol
Exact Mass366.41
IUPAC Name1-ethyl-1,3-di(nonyl)piperidin-1-ium
SMILESCCCCCCCCCC1CCC[N+](CC)(CCCCCCCCC)C1
InChIInChI=1S/C25H52N/c1-4-7-9-11-13-15-17-20-25-21-19-23-26(6-3,24-25)22-18-16-14-12-10-8-5-2/h25H,4-24H2,1-3H3/q+1
InChIKeyRCUCKDMTGGFWED-UHFFFAOYSA-N
XLogP8.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.70
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-1-undecylpyrrolidin-1-ium chloride
CID 171571216
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
tetradecylcyclododecane
CID 169026037
(3aS,7aR)-2-decyl-2-hexadecyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium
CID 98573317
azane;heptylcyclohexane
CID 121434222
1,1-di(nonadecyl)pyrrolidin-1-ium
CID 69397839
1-dodecyl-1-[6-(1-dodecylpyrrolidin-1-ium-1-yl)hexyl]pyrrolidin-1-ium
CID 102527529
1-hexadecyl-1-pentadecylpyrrolidin-1-ium
CID 69388333
1-heptadecyl-1-octadecylpyrrolidin-1-ium
CID 69389776
1-heptyl-1-undecylpyrrolidin-1-ium
CID 69393872

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,3-di(nonyl)piperidin-1-ium?
The IUPAC name of 1-ethyl-1,3-di(nonyl)piperidin-1-ium (CID 175583400) is 1-ethyl-1,3-di(nonyl)piperidin-1-ium.
What is the SMILES notation for 1-ethyl-1,3-di(nonyl)piperidin-1-ium?
The canonical SMILES for 1-ethyl-1,3-di(nonyl)piperidin-1-ium is CCCCCCCCCC1CCC[N+](CC)(CCCCCCCCC)C1.
What is the InChIKey of 1-ethyl-1,3-di(nonyl)piperidin-1-ium?
The InChIKey is RCUCKDMTGGFWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52N/c1-4-7-9-11-13-15-17-20-25-21-19-23-26(6-3,24-25)22-18-16-14-12-10-8-5-2/h25H,4-24H2,1-3H3/q+1.
What are the key properties of 1-ethyl-1,3-di(nonyl)piperidin-1-ium?
1-ethyl-1,3-di(nonyl)piperidin-1-ium has a molecular weight of 366.70 g/mol, XLogP of 8.12, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,3-di(nonyl)piperidin-1-ium is sourced from PubChem (CID 175583400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).