3-bromo-1-(1-ethylimidazol-2-yl)-4-methylpiperidine

C11H18BrN3 — CID 102961110

IUPAC3-bromo-1-(1-ethylimidazol-2-yl)-4-methylpiperidine
SMILESCCn1ccnc1N1CCC(C)C(Br)C1
InChIInChI=1S/C11H18BrN3/c1-3-14-7-5-13-11(14)15-6-4-9(2)10(12)8-15/h5,7,9-10H,3-4,6,8H2,1-2H3
InChIKeyUEPVQBRXLZBUDE-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.51
Rot. Bonds2

About 3-bromo-1-(1-ethylimidazol-2-yl)-4-methylpiperidine

3-bromo-1-(1-ethylimidazol-2-yl)-4-methylpiperidine (PubChem CID 102961110) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 3-bromo-1-(1-ethylimidazol-2-yl)-4-methylpiperidine.

Molecular Properties

Compound Name3-bromo-1-(1-ethylimidazol-2-yl)-4-methylpiperidine
PubChem CID102961110
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name3-bromo-1-(1-ethylimidazol-2-yl)-4-methylpiperidine
SMILESCCn1ccnc1N1CCC(C)C(Br)C1
InChIInChI=1S/C11H18BrN3/c1-3-14-7-5-13-11(14)15-6-4-9(2)10(12)8-15/h5,7,9-10H,3-4,6,8H2,1-2H3
InChIKeyUEPVQBRXLZBUDE-UHFFFAOYSA-N
XLogP2.51
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-ethylimidazol-2-yl)-N-methylpyrrolidin-3-amine
CID 115300867
4-(1-bromoethyl)-1-(1-ethylimidazol-2-yl)piperidine
CID 106838681
2-(3-bromo-4-methylpiperidin-1-yl)pyrimidine
CID 102961086
N-methyl-1-(1-propylimidazol-2-yl)pyrrolidin-3-amine
CID 106553421
(3aR,7aS)-2-(1-ethylimidazol-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 55039297
[1-(1-propylimidazol-2-yl)pyrrolidin-3-yl]methanamine
CID 63975836
N-[1-[1-(1-ethylimidazol-2-yl)piperidin-3-yl]ethyl]propan-1-amine
CID 63853520
N-[[1-(1-ethylimidazol-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62587780
[4-(1-ethylimidazol-2-yl)-6-methylmorpholin-2-yl]methanol
CID 102935092
N-methyl-1-(1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine
CID 106553425
2-(3-bromo-2-methylcyclopentyl)-1-ethylimidazole
CID 64908834
(3R)-1-(1-butylimidazol-2-yl)-3-methylpiperazine
CID 106553921

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(1-ethylimidazol-2-yl)-4-methylpiperidine?
The IUPAC name of 3-bromo-1-(1-ethylimidazol-2-yl)-4-methylpiperidine (CID 102961110) is 3-bromo-1-(1-ethylimidazol-2-yl)-4-methylpiperidine.
What is the SMILES notation for 3-bromo-1-(1-ethylimidazol-2-yl)-4-methylpiperidine?
The canonical SMILES for 3-bromo-1-(1-ethylimidazol-2-yl)-4-methylpiperidine is CCn1ccnc1N1CCC(C)C(Br)C1.
What is the InChIKey of 3-bromo-1-(1-ethylimidazol-2-yl)-4-methylpiperidine?
The InChIKey is UEPVQBRXLZBUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-3-14-7-5-13-11(14)15-6-4-9(2)10(12)8-15/h5,7,9-10H,3-4,6,8H2,1-2H3.
What are the key properties of 3-bromo-1-(1-ethylimidazol-2-yl)-4-methylpiperidine?
3-bromo-1-(1-ethylimidazol-2-yl)-4-methylpiperidine has a molecular weight of 272.19 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(1-ethylimidazol-2-yl)-4-methylpiperidine is sourced from PubChem (CID 102961110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).