1-(4-iodocyclohexa-1,5-dien-1-yl)piperidine

C11H16IN — CID 67558212

IUPAC1-(4-iodocyclohexa-1,5-dien-1-yl)piperidine
SMILESIC1C=CC(N2CCCCC2)=CC1
InChIInChI=1S/C11H16IN/c12-10-4-6-11(7-5-10)13-8-2-1-3-9-13/h4,6-7,10H,1-3,5,8-9H2
InChIKeyCGBQGVSXELYFBI-UHFFFAOYSA-N
MW289.16 g/mol
LogP3.12
Rot. Bonds1

About 1-(4-iodocyclohexa-1,5-dien-1-yl)piperidine

1-(4-iodocyclohexa-1,5-dien-1-yl)piperidine (PubChem CID 67558212) has the molecular formula C11H16IN and a molecular weight of 289.16 g/mol. Its IUPAC name is 1-(4-iodocyclohexa-1,5-dien-1-yl)piperidine.

Molecular Properties

Compound Name1-(4-iodocyclohexa-1,5-dien-1-yl)piperidine
PubChem CID67558212
Molecular FormulaC11H16IN
Molecular Weight289.16 g/mol
Exact Mass289.03
IUPAC Name1-(4-iodocyclohexa-1,5-dien-1-yl)piperidine
SMILESIC1C=CC(N2CCCCC2)=CC1
InChIInChI=1S/C11H16IN/c12-10-4-6-11(7-5-10)13-8-2-1-3-9-13/h4,6-7,10H,1-3,5,8-9H2
InChIKeyCGBQGVSXELYFBI-UHFFFAOYSA-N
XLogP3.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 53.12
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-iodocyclohexa-1,5-dien-1-yl)piperidine?
The IUPAC name of 1-(4-iodocyclohexa-1,5-dien-1-yl)piperidine (CID 67558212) is 1-(4-iodocyclohexa-1,5-dien-1-yl)piperidine.
What is the SMILES notation for 1-(4-iodocyclohexa-1,5-dien-1-yl)piperidine?
The canonical SMILES for 1-(4-iodocyclohexa-1,5-dien-1-yl)piperidine is IC1C=CC(N2CCCCC2)=CC1.
What is the InChIKey of 1-(4-iodocyclohexa-1,5-dien-1-yl)piperidine?
The InChIKey is CGBQGVSXELYFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN/c12-10-4-6-11(7-5-10)13-8-2-1-3-9-13/h4,6-7,10H,1-3,5,8-9H2.
What are the key properties of 1-(4-iodocyclohexa-1,5-dien-1-yl)piperidine?
1-(4-iodocyclohexa-1,5-dien-1-yl)piperidine has a molecular weight of 289.16 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodocyclohexa-1,5-dien-1-yl)piperidine is sourced from PubChem (CID 67558212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).