4-(5-fluorocyclohexen-1-yl)-1-iodopiperidine

C11H17FIN — CID 130370625

IUPAC4-(5-fluorocyclohexen-1-yl)-1-iodopiperidine
SMILESFC1CCC=C(C2CCN(I)CC2)C1
InChIInChI=1S/C11H17FIN/c12-11-3-1-2-10(8-11)9-4-6-14(13)7-5-9/h2,9,11H,1,3-8H2
InChIKeyMOLTVCXEILRPOW-UHFFFAOYSA-N
MW309.17 g/mol
LogP3.50
Rot. Bonds1

About 4-(5-fluorocyclohexen-1-yl)-1-iodopiperidine

4-(5-fluorocyclohexen-1-yl)-1-iodopiperidine (PubChem CID 130370625) has the molecular formula C11H17FIN and a molecular weight of 309.17 g/mol. Its IUPAC name is 4-(5-fluorocyclohexen-1-yl)-1-iodopiperidine.

Molecular Properties

Compound Name4-(5-fluorocyclohexen-1-yl)-1-iodopiperidine
PubChem CID130370625
Molecular FormulaC11H17FIN
Molecular Weight309.17 g/mol
Exact Mass309.04
IUPAC Name4-(5-fluorocyclohexen-1-yl)-1-iodopiperidine
SMILESFC1CCC=C(C2CCN(I)CC2)C1
InChIInChI=1S/C11H17FIN/c12-11-3-1-2-10(8-11)9-4-6-14(13)7-5-9/h2,9,11H,1,3-8H2
InChIKeyMOLTVCXEILRPOW-UHFFFAOYSA-N
XLogP3.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-1-((2,4,6-trimethylcyclohex-3-en-1-yl)methyl)piperidin-1-ium iodide
CID 16189254
1-Methyl-1-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]piperidinium
CID 3122280
4-(4-Fluorocyclohexen-1-yl)piperidine
CID 89168221
4-(4-Fluorocyclohexa-1,3-dien-1-yl)-1-methylpiperidine
CID 118422995
4-(4-Fluorocyclohexa-1,3-dien-1-yl)-1-iodopiperidine
CID 134365792
4-[(E)-7-fluorohept-3-en-4-yl]-1-iodopiperidine
CID 134365802
1-(2-Fluoroethyl)-4-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine
CID 142308852
1-(2-Fluoroethyl)-4-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)piperidine
CID 155197640
1-[(5E,7E)-8-fluoro-4-(4-fluorocyclohexa-1,3-dien-1-yl)deca-5,7,9-trienyl]piperidine
CID 166860012
4-[(7R)-4-fluoro-7-methylcyclohepta-1,5-dien-1-yl]-1-iodopiperidine
CID 173750187
3-(Cyclohexen-1-yl)-3-fluoropiperidine
CID 106655012
4-(Cyclohexen-1-yl)-4-fluoropiperidine
CID 106655015

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluorocyclohexen-1-yl)-1-iodopiperidine?
The IUPAC name of 4-(5-fluorocyclohexen-1-yl)-1-iodopiperidine (CID 130370625) is 4-(5-fluorocyclohexen-1-yl)-1-iodopiperidine.
What is the SMILES notation for 4-(5-fluorocyclohexen-1-yl)-1-iodopiperidine?
The canonical SMILES for 4-(5-fluorocyclohexen-1-yl)-1-iodopiperidine is FC1CCC=C(C2CCN(I)CC2)C1.
What is the InChIKey of 4-(5-fluorocyclohexen-1-yl)-1-iodopiperidine?
The InChIKey is MOLTVCXEILRPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FIN/c12-11-3-1-2-10(8-11)9-4-6-14(13)7-5-9/h2,9,11H,1,3-8H2.
What are the key properties of 4-(5-fluorocyclohexen-1-yl)-1-iodopiperidine?
4-(5-fluorocyclohexen-1-yl)-1-iodopiperidine has a molecular weight of 309.17 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluorocyclohexen-1-yl)-1-iodopiperidine is sourced from PubChem (CID 130370625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).