1-ethyl-4-fluoro-4-iodopiperidine

C7H13FIN — CID 147786451

IUPAC1-ethyl-4-fluoro-4-iodopiperidine
SMILESCCN1CCC(F)(I)CC1
InChIInChI=1S/C7H13FIN/c1-2-10-5-3-7(8,9)4-6-10/h2-6H2,1H3
InChIKeyHITXPQFERFFZJZ-UHFFFAOYSA-N
MW257.09 g/mol
LogP2.20
Rot. Bonds1

About 1-ethyl-4-fluoro-4-iodopiperidine

1-ethyl-4-fluoro-4-iodopiperidine (PubChem CID 147786451) has the molecular formula C7H13FIN and a molecular weight of 257.09 g/mol. Its IUPAC name is 1-ethyl-4-fluoro-4-iodopiperidine.

Molecular Properties

Compound Name1-ethyl-4-fluoro-4-iodopiperidine
PubChem CID147786451
Molecular FormulaC7H13FIN
Molecular Weight257.09 g/mol
Exact Mass257.01
IUPAC Name1-ethyl-4-fluoro-4-iodopiperidine
SMILESCCN1CCC(F)(I)CC1
InChIInChI=1S/C7H13FIN/c1-2-10-5-3-7(8,9)4-6-10/h2-6H2,1H3
InChIKeyHITXPQFERFFZJZ-UHFFFAOYSA-N
XLogP2.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,4-diethyl-4-iodopiperidine
CID 118535824
3,9-diethyl-3,9-diazaspiro[5.5]undecane
CID 20622591
1-ethyl-4-fluoro-4-propan-2-ylpiperidine
CID 163258367
1-ethyl-5,5-difluoroazocane
CID 162614940
1-ethyl-4,4-dimethylpiperidine;hydrate
CID 178113144
1-ethyl-4-[(1-fluorocyclopropyl)methyl]piperazine
CID 130668663
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
1-ethyl-4-fluoropiperidine-4-carboxylic acid;hydrochloride
CID 90079651
ethane;7-ethyl-2-methyl-7-aza-2-azoniaspiro[3.5]nonane
CID 156749858
1-(1-ethyl-4-fluoropiperidin-4-yl)-2,2,2-trifluoroethanol
CID 151699939
1,4-diethylpiperazine;sulfane
CID 177062456
potassium;ethane;3-ethyl-3-aza-9-azanidaspiro[5.5]undecane
CID 154678990

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-fluoro-4-iodopiperidine?
The IUPAC name of 1-ethyl-4-fluoro-4-iodopiperidine (CID 147786451) is 1-ethyl-4-fluoro-4-iodopiperidine.
What is the SMILES notation for 1-ethyl-4-fluoro-4-iodopiperidine?
The canonical SMILES for 1-ethyl-4-fluoro-4-iodopiperidine is CCN1CCC(F)(I)CC1.
What is the InChIKey of 1-ethyl-4-fluoro-4-iodopiperidine?
The InChIKey is HITXPQFERFFZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FIN/c1-2-10-5-3-7(8,9)4-6-10/h2-6H2,1H3.
What are the key properties of 1-ethyl-4-fluoro-4-iodopiperidine?
1-ethyl-4-fluoro-4-iodopiperidine has a molecular weight of 257.09 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-fluoro-4-iodopiperidine is sourced from PubChem (CID 147786451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).