4-[(E)-7-fluorohept-3-en-4-yl]-1-iodopiperidine

C12H21FIN — CID 134365802

IUPAC4-[(E)-7-fluorohept-3-en-4-yl]-1-iodopiperidine
SMILESCC/C=C(\CCCF)C1CCN(I)CC1
InChIInChI=1S/C12H21FIN/c1-2-4-11(5-3-8-13)12-6-9-15(14)10-7-12/h4,12H,2-3,5-10H2,1H3/b11-4+
InChIKeyIDOYXRPSIOQCOQ-NYYWCZLTSA-N
MW325.21 g/mol
LogP4.13
Rot. Bonds5

About 4-[(E)-7-fluorohept-3-en-4-yl]-1-iodopiperidine

4-[(E)-7-fluorohept-3-en-4-yl]-1-iodopiperidine (PubChem CID 134365802) has the molecular formula C12H21FIN and a molecular weight of 325.21 g/mol. Its IUPAC name is 4-[(E)-7-fluorohept-3-en-4-yl]-1-iodopiperidine.

Molecular Properties

Compound Name4-[(E)-7-fluorohept-3-en-4-yl]-1-iodopiperidine
PubChem CID134365802
Molecular FormulaC12H21FIN
Molecular Weight325.21 g/mol
Exact Mass325.07
IUPAC Name4-[(E)-7-fluorohept-3-en-4-yl]-1-iodopiperidine
SMILESCC/C=C(\CCCF)C1CCN(I)CC1
InChIInChI=1S/C12H21FIN/c1-2-4-11(5-3-8-13)12-6-9-15(14)10-7-12/h4,12H,2-3,5-10H2,1H3/b11-4+
InChIKeyIDOYXRPSIOQCOQ-NYYWCZLTSA-N
XLogP4.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 54.13
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-(3,7-Dimethyloct-6-en-1-yl)piperidine
CID 3592771
4-[(E)-1-fluorohex-3-en-3-yl]piperidine
CID 89168225
2-ethyl-6-fluoro-3,4,8,8a-tetrahydro-1H-isoquinoline
CID 89514110
1-Methyl-4-[2-(trifluoromethyl)cyclohexa-2,5-dien-1-yl]piperidine
CID 91802982
4-(4-Fluorocyclohexa-1,3-dien-1-yl)-1-methylpiperidine
CID 118422995
4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-methylpiperidine
CID 121306892
1-(8-Fluoro-4,5-dimethylnona-5,7-dienyl)piperidine
CID 123361404
4-[1-(4-Fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-1-methylpiperidine
CID 129131717
4-fluoro-1-methyl-4-[(2E,5Z)-6-methylnona-2,5-dien-2-yl]piperidine
CID 130216521
4-(5-Fluorocyclohexen-1-yl)-1-iodopiperidine
CID 130370625
4-[(Z)-2-fluoroprop-1-enyl]-1-methylpiperidine
CID 131972841

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-7-fluorohept-3-en-4-yl]-1-iodopiperidine?
The IUPAC name of 4-[(E)-7-fluorohept-3-en-4-yl]-1-iodopiperidine (CID 134365802) is 4-[(E)-7-fluorohept-3-en-4-yl]-1-iodopiperidine.
What is the SMILES notation for 4-[(E)-7-fluorohept-3-en-4-yl]-1-iodopiperidine?
The canonical SMILES for 4-[(E)-7-fluorohept-3-en-4-yl]-1-iodopiperidine is CC/C=C(\CCCF)C1CCN(I)CC1.
What is the InChIKey of 4-[(E)-7-fluorohept-3-en-4-yl]-1-iodopiperidine?
The InChIKey is IDOYXRPSIOQCOQ-NYYWCZLTSA-N. The full InChI is InChI=1S/C12H21FIN/c1-2-4-11(5-3-8-13)12-6-9-15(14)10-7-12/h4,12H,2-3,5-10H2,1H3/b11-4+.
What are the key properties of 4-[(E)-7-fluorohept-3-en-4-yl]-1-iodopiperidine?
4-[(E)-7-fluorohept-3-en-4-yl]-1-iodopiperidine has a molecular weight of 325.21 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-7-fluorohept-3-en-4-yl]-1-iodopiperidine is sourced from PubChem (CID 134365802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).