1-[6-(4-fluorophenoxy)hexyl]piperidin-1-ium

C17H27FNO+ — CID 2250689

IUPAC1-[6-(4-fluorophenoxy)hexyl]piperidin-1-ium
SMILESFc1ccc(OCCCCCC[NH+]2CCCCC2)cc1
InChIInChI=1S/C17H26FNO/c18-16-8-10-17(11-9-16)20-15-7-2-1-4-12-19-13-5-3-6-14-19/h8-11H,1-7,12-15H2/p+1
InChIKeyYCJMRDGJONCETE-UHFFFAOYSA-O
MW280.41 g/mol
LogP2.83
Rot. Bonds8

About 1-[6-(4-fluorophenoxy)hexyl]piperidin-1-ium

1-[6-(4-fluorophenoxy)hexyl]piperidin-1-ium (PubChem CID 2250689) has the molecular formula C17H27FNO+ and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-[6-(4-fluorophenoxy)hexyl]piperidin-1-ium.

Molecular Properties

Compound Name1-[6-(4-fluorophenoxy)hexyl]piperidin-1-ium
PubChem CID2250689
Molecular FormulaC17H27FNO+
Molecular Weight280.41 g/mol
Exact Mass280.21
IUPAC Name1-[6-(4-fluorophenoxy)hexyl]piperidin-1-ium
SMILESFc1ccc(OCCCCCC[NH+]2CCCCC2)cc1
InChIInChI=1S/C17H26FNO/c18-16-8-10-17(11-9-16)20-15-7-2-1-4-12-19-13-5-3-6-14-19/h8-11H,1-7,12-15H2/p+1
InChIKeyYCJMRDGJONCETE-UHFFFAOYSA-O
XLogP2.83
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[6-(4-fluorophenoxy)hexyl]piperidin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(4-fluorophenoxy)pentyl]pyrrolidin-1-ium
CID 2248273
1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-ium
CID 7446273
1-[5-(4-ethylphenoxy)pentyl]pyrrolidin-1-ium
CID 2248144
4-(3-piperidin-1-ium-1-ylpropoxy)benzonitrile
CID 6998989
1-[4-(4-chloro-3-methylphenoxy)butyl]piperidin-1-ium
CID 2262981
(2R,6S)-4-[4-(4-fluorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium
CID 2184520
1-[4-(4-fluorophenoxy)butyl]-3,5-dimethylpiperidin-1-ium chloride
CID 44655913
1-[2-(4-fluorophenoxy)ethyl]piperazine-1,4-diium
CID 7263169
1-[5-(2-methoxyphenoxy)pentyl]piperidin-1-ium
CID 2304779
1-[5-(2-methylphenoxy)pentyl]piperidin-1-ium
CID 2057428
1-[2-(4-methoxyphenoxy)ethyl]azepan-1-ium
CID 7412859
1-[5-(3-methoxyphenoxy)pentyl]pyrrolidin-1-ium
CID 2232738

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-fluorophenoxy)hexyl]piperidin-1-ium?
The IUPAC name of 1-[6-(4-fluorophenoxy)hexyl]piperidin-1-ium (CID 2250689) is 1-[6-(4-fluorophenoxy)hexyl]piperidin-1-ium.
What is the SMILES notation for 1-[6-(4-fluorophenoxy)hexyl]piperidin-1-ium?
The canonical SMILES for 1-[6-(4-fluorophenoxy)hexyl]piperidin-1-ium is Fc1ccc(OCCCCCC[NH+]2CCCCC2)cc1.
What is the InChIKey of 1-[6-(4-fluorophenoxy)hexyl]piperidin-1-ium?
The InChIKey is YCJMRDGJONCETE-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H26FNO/c18-16-8-10-17(11-9-16)20-15-7-2-1-4-12-19-13-5-3-6-14-19/h8-11H,1-7,12-15H2/p+1.
What are the key properties of 1-[6-(4-fluorophenoxy)hexyl]piperidin-1-ium?
1-[6-(4-fluorophenoxy)hexyl]piperidin-1-ium has a molecular weight of 280.41 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-fluorophenoxy)hexyl]piperidin-1-ium is sourced from PubChem (CID 2250689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).