4-(4-fluorocyclohexa-1,5-dien-1-yl)-1-iodopiperidine

C11H15FIN — CID 134365619

IUPAC4-(4-fluorocyclohexa-1,5-dien-1-yl)-1-iodopiperidine
SMILESFC1C=CC(C2CCN(I)CC2)=CC1
InChIInChI=1S/C11H15FIN/c12-11-3-1-9(2-4-11)10-5-7-14(13)8-6-10/h1-3,10-11H,4-8H2
InChIKeyTUTMKBKDDDALCU-UHFFFAOYSA-N
MW307.15 g/mol
LogP3.27
Rot. Bonds1

About 4-(4-fluorocyclohexa-1,5-dien-1-yl)-1-iodopiperidine

4-(4-fluorocyclohexa-1,5-dien-1-yl)-1-iodopiperidine (PubChem CID 134365619) has the molecular formula C11H15FIN and a molecular weight of 307.15 g/mol. Its IUPAC name is 4-(4-fluorocyclohexa-1,5-dien-1-yl)-1-iodopiperidine.

Molecular Properties

Compound Name4-(4-fluorocyclohexa-1,5-dien-1-yl)-1-iodopiperidine
PubChem CID134365619
Molecular FormulaC11H15FIN
Molecular Weight307.15 g/mol
Exact Mass307.02
IUPAC Name4-(4-fluorocyclohexa-1,5-dien-1-yl)-1-iodopiperidine
SMILESFC1C=CC(C2CCN(I)CC2)=CC1
InChIInChI=1S/C11H15FIN/c12-11-3-1-9(2-4-11)10-5-7-14(13)8-6-10/h1-3,10-11H,4-8H2
InChIKeyTUTMKBKDDDALCU-UHFFFAOYSA-N
XLogP3.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3,4,4a,5-tetrahydro-1H-isoquinoline
CID 68536267
n-Allyltetrahydroisoquinoline
CID 69120546
1-[(2,6-Difluorocyclohexa-2,4-dien-1-yl)methyl]piperidine
CID 66807098
1-[2-(1-Fluorocyclohexa-2,4-dien-1-yl)ethyl]-4-methylidenepiperidine
CID 69593663
1-[2-(4-Fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine
CID 70819928
2-methyl-6-(trifluoromethyl)-3,4,4a,8a-tetrahydro-1H-isoquinoline
CID 70836536
(8aS)-2-methyl-6-(trifluoromethyl)-3,4,4a,8a-tetrahydro-1H-isoquinoline
CID 70836557
1-[(2E,3Z)-2-(2-fluoroethylidene)hexa-3,5-dienyl]-4-methylpiperidine
CID 89297752
4-(4-Fluorocyclohexa-1,5-dien-1-yl)piperidine
CID 89358489
4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-methylpiperidine
CID 121306892
1-[(6-Fluorocyclohexa-2,4-dien-1-yl)methyl]piperidine
CID 123163019
(3R)-3-[(2Z,4E)-4-fluoro-3-methylhepta-2,4,6-trienyl]-1-methylpiperidine
CID 134292242

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorocyclohexa-1,5-dien-1-yl)-1-iodopiperidine?
The IUPAC name of 4-(4-fluorocyclohexa-1,5-dien-1-yl)-1-iodopiperidine (CID 134365619) is 4-(4-fluorocyclohexa-1,5-dien-1-yl)-1-iodopiperidine.
What is the SMILES notation for 4-(4-fluorocyclohexa-1,5-dien-1-yl)-1-iodopiperidine?
The canonical SMILES for 4-(4-fluorocyclohexa-1,5-dien-1-yl)-1-iodopiperidine is FC1C=CC(C2CCN(I)CC2)=CC1.
What is the InChIKey of 4-(4-fluorocyclohexa-1,5-dien-1-yl)-1-iodopiperidine?
The InChIKey is TUTMKBKDDDALCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FIN/c12-11-3-1-9(2-4-11)10-5-7-14(13)8-6-10/h1-3,10-11H,4-8H2.
What are the key properties of 4-(4-fluorocyclohexa-1,5-dien-1-yl)-1-iodopiperidine?
4-(4-fluorocyclohexa-1,5-dien-1-yl)-1-iodopiperidine has a molecular weight of 307.15 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorocyclohexa-1,5-dien-1-yl)-1-iodopiperidine is sourced from PubChem (CID 134365619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).