3-[(4,5-diiodoimidazol-1-yl)methyl]piperidine

C9H13I2N3 — CID 130508481

IUPAC3-[(4,5-diiodoimidazol-1-yl)methyl]piperidine
SMILESIc1ncn(CC2CCCNC2)c1I
InChIInChI=1S/C9H13I2N3/c10-8-9(11)14(6-13-8)5-7-2-1-3-12-4-7/h6-7,12H,1-5H2
InChIKeyHIPQYBIFGVRGCX-UHFFFAOYSA-N
MW417.03 g/mol
LogP2.09
Rot. Bonds2

About 3-[(4,5-diiodoimidazol-1-yl)methyl]piperidine

3-[(4,5-diiodoimidazol-1-yl)methyl]piperidine (PubChem CID 130508481) has the molecular formula C9H13I2N3 and a molecular weight of 417.03 g/mol. Its IUPAC name is 3-[(4,5-diiodoimidazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[(4,5-diiodoimidazol-1-yl)methyl]piperidine
PubChem CID130508481
Molecular FormulaC9H13I2N3
Molecular Weight417.03 g/mol
Exact Mass416.92
IUPAC Name3-[(4,5-diiodoimidazol-1-yl)methyl]piperidine
SMILESIc1ncn(CC2CCCNC2)c1I
InChIInChI=1S/C9H13I2N3/c10-8-9(11)14(6-13-8)5-7-2-1-3-12-4-7/h6-7,12H,1-5H2
InChIKeyHIPQYBIFGVRGCX-UHFFFAOYSA-N
XLogP2.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.03
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 84793040
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5-methyl-1-(piperidin-3-ylmethyl)pyrimidin-2-one
CID 63205945
(3R)-3-[(2-ethylimidazol-1-yl)methyl]piperidine;dihydrochloride
CID 169424334
(3S)-3-[(4-iodopyrazol-1-yl)methyl]piperidine
CID 129369974
5-chloro-3-(piperidin-3-ylmethyl)quinazolin-4-one
CID 117263607
7-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine;dihydrochloride
CID 121210532
3-[(4-methylimidazol-1-yl)methyl]azepane
CID 18712989
3-(tetrazol-1-ylmethyl)piperidine
CID 82512096
3-(piperidin-3-ylmethyl)-6-(trifluoromethyl)quinazolin-4-one
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CID 70231381

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-diiodoimidazol-1-yl)methyl]piperidine?
The IUPAC name of 3-[(4,5-diiodoimidazol-1-yl)methyl]piperidine (CID 130508481) is 3-[(4,5-diiodoimidazol-1-yl)methyl]piperidine.
What is the SMILES notation for 3-[(4,5-diiodoimidazol-1-yl)methyl]piperidine?
The canonical SMILES for 3-[(4,5-diiodoimidazol-1-yl)methyl]piperidine is Ic1ncn(CC2CCCNC2)c1I.
What is the InChIKey of 3-[(4,5-diiodoimidazol-1-yl)methyl]piperidine?
The InChIKey is HIPQYBIFGVRGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13I2N3/c10-8-9(11)14(6-13-8)5-7-2-1-3-12-4-7/h6-7,12H,1-5H2.
What are the key properties of 3-[(4,5-diiodoimidazol-1-yl)methyl]piperidine?
3-[(4,5-diiodoimidazol-1-yl)methyl]piperidine has a molecular weight of 417.03 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-diiodoimidazol-1-yl)methyl]piperidine is sourced from PubChem (CID 130508481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).