3-(2-bromoethyl)-1-(1-methylimidazol-2-yl)piperidine

C11H18BrN3 — CID 80680560

IUPAC3-(2-bromoethyl)-1-(1-methylimidazol-2-yl)piperidine
SMILESCn1ccnc1N1CCCC(CCBr)C1
InChIInChI=1S/C11H18BrN3/c1-14-8-6-13-11(14)15-7-2-3-10(9-15)4-5-12/h6,8,10H,2-5,7,9H2,1H3
InChIKeyARHBMPYXIDTULO-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.42
Rot. Bonds3

About 3-(2-bromoethyl)-1-(1-methylimidazol-2-yl)piperidine

3-(2-bromoethyl)-1-(1-methylimidazol-2-yl)piperidine (PubChem CID 80680560) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 3-(2-bromoethyl)-1-(1-methylimidazol-2-yl)piperidine.

Molecular Properties

Compound Name3-(2-bromoethyl)-1-(1-methylimidazol-2-yl)piperidine
PubChem CID80680560
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name3-(2-bromoethyl)-1-(1-methylimidazol-2-yl)piperidine
SMILESCn1ccnc1N1CCCC(CCBr)C1
InChIInChI=1S/C11H18BrN3/c1-14-8-6-13-11(14)15-7-2-3-10(9-15)4-5-12/h6,8,10H,2-5,7,9H2,1H3
InChIKeyARHBMPYXIDTULO-UHFFFAOYSA-N
XLogP2.42
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.42
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-methylimidazol-2-yl)piperidin-3-yl]methanamine
CID 62132389
2-[3-(2-bromoethyl)piperidin-1-yl]pyrimidine
CID 80679402
2-(2-bromoethyl)-1-(1-methylimidazol-2-yl)piperidine
CID 80662448
4-[3-(2-bromoethyl)piperidin-1-yl]-2-propan-2-ylpyrazolo[1,5-a]pyrazine
CID 104734126
1-(1-methylimidazol-2-yl)piperidine;dihydrochloride
CID 141222572
[1-(1-methylimidazol-2-yl)piperidin-4-yl]methanamine
CID 62132388
[1-(1-propan-2-ylimidazol-2-yl)piperidin-3-yl]methanamine
CID 106552327
2-[3-(2-bromoethyl)piperidin-1-yl]-5-chloropyridine
CID 80679523
4-[3-(2-bromoethyl)piperidin-1-yl]-6-propylpyrimidine
CID 80679760
4-[3-(2-bromoethyl)piperidin-1-yl]-5-iodopyrimidine
CID 80679066
[1-[1-(2-methylpropyl)imidazol-2-yl]piperidin-3-yl]methanamine
CID 106552345
5-[3-(2-bromoethyl)pyrrolidin-1-yl]-1-methyltetrazole
CID 114800772

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoethyl)-1-(1-methylimidazol-2-yl)piperidine?
The IUPAC name of 3-(2-bromoethyl)-1-(1-methylimidazol-2-yl)piperidine (CID 80680560) is 3-(2-bromoethyl)-1-(1-methylimidazol-2-yl)piperidine.
What is the SMILES notation for 3-(2-bromoethyl)-1-(1-methylimidazol-2-yl)piperidine?
The canonical SMILES for 3-(2-bromoethyl)-1-(1-methylimidazol-2-yl)piperidine is Cn1ccnc1N1CCCC(CCBr)C1.
What is the InChIKey of 3-(2-bromoethyl)-1-(1-methylimidazol-2-yl)piperidine?
The InChIKey is ARHBMPYXIDTULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-14-8-6-13-11(14)15-7-2-3-10(9-15)4-5-12/h6,8,10H,2-5,7,9H2,1H3.
What are the key properties of 3-(2-bromoethyl)-1-(1-methylimidazol-2-yl)piperidine?
3-(2-bromoethyl)-1-(1-methylimidazol-2-yl)piperidine has a molecular weight of 272.19 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoethyl)-1-(1-methylimidazol-2-yl)piperidine is sourced from PubChem (CID 80680560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).