1,1-diethylpiperidin-1-ium;methane;iodide

C10H24IN — CID 158053029

IUPAC1,1-diethylpiperidin-1-ium;methane;iodide
SMILESC.CC[N+]1(CC)CCCCC1.[I-]
InChIInChI=1S/C9H20N.CH4.HI/c1-3-10(4-2)8-6-5-7-9-10;;/h3-9H2,1-2H3;1H4;1H/q+1;;/p-1
InChIKeyHPGXPRIUVRKTTK-UHFFFAOYSA-M
MW285.21 g/mol
LogP-0.33
Rot. Bonds2

About 1,1-diethylpiperidin-1-ium;methane;iodide

1,1-diethylpiperidin-1-ium;methane;iodide (PubChem CID 158053029) has the molecular formula C10H24IN and a molecular weight of 285.21 g/mol. Its IUPAC name is 1,1-diethylpiperidin-1-ium;methane;iodide.

Molecular Properties

Compound Name1,1-diethylpiperidin-1-ium;methane;iodide
PubChem CID158053029
Molecular FormulaC10H24IN
Molecular Weight285.21 g/mol
Exact Mass285.10
IUPAC Name1,1-diethylpiperidin-1-ium;methane;iodide
SMILESC.CC[N+]1(CC)CCCCC1.[I-]
InChIInChI=1S/C9H20N.CH4.HI/c1-3-10(4-2)8-6-5-7-9-10;;/h3-9H2,1-2H3;1H4;1H/q+1;;/p-1
InChIKeyHPGXPRIUVRKTTK-UHFFFAOYSA-M
XLogP-0.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.21
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethylpiperidin-1-ium;methane;iodide?
The IUPAC name of 1,1-diethylpiperidin-1-ium;methane;iodide (CID 158053029) is 1,1-diethylpiperidin-1-ium;methane;iodide.
What is the SMILES notation for 1,1-diethylpiperidin-1-ium;methane;iodide?
The canonical SMILES for 1,1-diethylpiperidin-1-ium;methane;iodide is C.CC[N+]1(CC)CCCCC1.[I-].
What is the InChIKey of 1,1-diethylpiperidin-1-ium;methane;iodide?
The InChIKey is HPGXPRIUVRKTTK-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H20N.CH4.HI/c1-3-10(4-2)8-6-5-7-9-10;;/h3-9H2,1-2H3;1H4;1H/q+1;;/p-1.
What are the key properties of 1,1-diethylpiperidin-1-ium;methane;iodide?
1,1-diethylpiperidin-1-ium;methane;iodide has a molecular weight of 285.21 g/mol, XLogP of -0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethylpiperidin-1-ium;methane;iodide is sourced from PubChem (CID 158053029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).