4-(2-bromo-3-ethylimidazol-4-yl)piperidine

C10H16BrN3 — CID 117260024

IUPAC4-(2-bromo-3-ethylimidazol-4-yl)piperidine
SMILESCCn1c(C2CCNCC2)cnc1Br
InChIInChI=1S/C10H16BrN3/c1-2-14-9(7-13-10(14)11)8-3-5-12-6-4-8/h7-8,12H,2-6H2,1H3
InChIKeyOYENYHWIPWLSFN-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.13
Rot. Bonds2

About 4-(2-bromo-3-ethylimidazol-4-yl)piperidine

4-(2-bromo-3-ethylimidazol-4-yl)piperidine (PubChem CID 117260024) has the molecular formula C10H16BrN3 and a molecular weight of 258.16 g/mol. Its IUPAC name is 4-(2-bromo-3-ethylimidazol-4-yl)piperidine.

Molecular Properties

Compound Name4-(2-bromo-3-ethylimidazol-4-yl)piperidine
PubChem CID117260024
Molecular FormulaC10H16BrN3
Molecular Weight258.16 g/mol
Exact Mass257.05
IUPAC Name4-(2-bromo-3-ethylimidazol-4-yl)piperidine
SMILESCCn1c(C2CCNCC2)cnc1Br
InChIInChI=1S/C10H16BrN3/c1-2-14-9(7-13-10(14)11)8-3-5-12-6-4-8/h7-8,12H,2-6H2,1H3
InChIKeyOYENYHWIPWLSFN-UHFFFAOYSA-N
XLogP2.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromo-3-ethylimidazol-4-yl)thiane 1,1-dioxide
CID 117260015
2-chloro-5-cyclohexyl-1-ethylimidazole
CID 117260188
4-(1-ethyl-4,5-dimethylimidazol-2-yl)piperidine
CID 82463375
4-ethyl-2-methyl-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271356
5-ethyl-2-piperidin-4-ylpyrimidine
CID 83697990
N-ethyl-N-methyl-2-(5-piperidin-4-ylimidazol-1-yl)ethanamine
CID 114705667
4-(2-tert-butylpyrazol-3-yl)piperidine;dihydrochloride
CID 118167091
4-[3-(4-propylcyclohexyl)imidazol-4-yl]piperidine
CID 114704999
methane;5-methyl-2-piperidin-4-ylpyrimidine
CID 157310053
4-[3-(3-methylpentan-2-yl)imidazol-4-yl]piperidine
CID 114704625
1-ethyl-2-piperidin-4-ylbenzimidazole
CID 20983587
2-bromo-1-methyl-5-(oxan-4-yl)imidazole
CID 117259832

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-3-ethylimidazol-4-yl)piperidine?
The IUPAC name of 4-(2-bromo-3-ethylimidazol-4-yl)piperidine (CID 117260024) is 4-(2-bromo-3-ethylimidazol-4-yl)piperidine.
What is the SMILES notation for 4-(2-bromo-3-ethylimidazol-4-yl)piperidine?
The canonical SMILES for 4-(2-bromo-3-ethylimidazol-4-yl)piperidine is CCn1c(C2CCNCC2)cnc1Br.
What is the InChIKey of 4-(2-bromo-3-ethylimidazol-4-yl)piperidine?
The InChIKey is OYENYHWIPWLSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3/c1-2-14-9(7-13-10(14)11)8-3-5-12-6-4-8/h7-8,12H,2-6H2,1H3.
What are the key properties of 4-(2-bromo-3-ethylimidazol-4-yl)piperidine?
4-(2-bromo-3-ethylimidazol-4-yl)piperidine has a molecular weight of 258.16 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-3-ethylimidazol-4-yl)piperidine is sourced from PubChem (CID 117260024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).