[fluoro(piperidin-1-yl)methylidene]-dimethylazanium

C8H16FN2+ — CID 138974595

IUPAC[fluoro(piperidin-1-yl)methylidene]-dimethylazanium
SMILESC[N+](C)=C(F)N1CCCCC1
InChIInChI=1S/C8H16FN2/c1-10(2)8(9)11-6-4-3-5-7-11/h3-7H2,1-2H3/q+1
InChIKeyGHEOSHCBMXFAID-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.07
Rot. Bonds

About [fluoro(piperidin-1-yl)methylidene]-dimethylazanium

[fluoro(piperidin-1-yl)methylidene]-dimethylazanium (PubChem CID 138974595) has the molecular formula C8H16FN2+ and a molecular weight of 159.23 g/mol. Its IUPAC name is [fluoro(piperidin-1-yl)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[fluoro(piperidin-1-yl)methylidene]-dimethylazanium
PubChem CID138974595
Molecular FormulaC8H16FN2+
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name[fluoro(piperidin-1-yl)methylidene]-dimethylazanium
SMILESC[N+](C)=C(F)N1CCCCC1
InChIInChI=1S/C8H16FN2/c1-10(2)8(9)11-6-4-3-5-7-11/h3-7H2,1-2H3/q+1
InChIKeyGHEOSHCBMXFAID-UHFFFAOYSA-N
XLogP1.07
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [fluoro(piperidin-1-yl)methylidene]-dimethylazanium?
The IUPAC name of [fluoro(piperidin-1-yl)methylidene]-dimethylazanium (CID 138974595) is [fluoro(piperidin-1-yl)methylidene]-dimethylazanium.
What is the SMILES notation for [fluoro(piperidin-1-yl)methylidene]-dimethylazanium?
The canonical SMILES for [fluoro(piperidin-1-yl)methylidene]-dimethylazanium is C[N+](C)=C(F)N1CCCCC1.
What is the InChIKey of [fluoro(piperidin-1-yl)methylidene]-dimethylazanium?
The InChIKey is GHEOSHCBMXFAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN2/c1-10(2)8(9)11-6-4-3-5-7-11/h3-7H2,1-2H3/q+1.
What are the key properties of [fluoro(piperidin-1-yl)methylidene]-dimethylazanium?
[fluoro(piperidin-1-yl)methylidene]-dimethylazanium has a molecular weight of 159.23 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [fluoro(piperidin-1-yl)methylidene]-dimethylazanium is sourced from PubChem (CID 138974595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).