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

C11H18BrN3 — CID 80662448

IUPAC2-(2-bromoethyl)-1-(1-methylimidazol-2-yl)piperidine
SMILESCn1ccnc1N1CCCCC1CCBr
InChIInChI=1S/C11H18BrN3/c1-14-9-7-13-11(14)15-8-3-2-4-10(15)5-6-12/h7,9-10H,2-6,8H2,1H3
InChIKeyARHAXGODXLJAFM-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.56
Rot. Bonds3

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

2-(2-bromoethyl)-1-(1-methylimidazol-2-yl)piperidine (PubChem CID 80662448) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 2-(2-bromoethyl)-1-(1-methylimidazol-2-yl)piperidine.

Molecular Properties

Compound Name2-(2-bromoethyl)-1-(1-methylimidazol-2-yl)piperidine
PubChem CID80662448
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name2-(2-bromoethyl)-1-(1-methylimidazol-2-yl)piperidine
SMILESCn1ccnc1N1CCCCC1CCBr
InChIInChI=1S/C11H18BrN3/c1-14-9-7-13-11(14)15-8-3-2-4-10(15)5-6-12/h7,9-10H,2-6,8H2,1H3
InChIKeyARHAXGODXLJAFM-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
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-2-yl]methanol
CID 62133846
3-(2-bromoethyl)-1-(1-methylimidazol-2-yl)piperidine
CID 80680560
3-[2-(2-bromoethyl)piperidin-1-yl]-1-ethylpyrazin-2-one
CID 80670295
3-[2-(chloromethyl)azepan-1-yl]-1-methylpyrazin-2-one
CID 116638887
3-bromo-2-[2-(2-bromoethyl)piperidin-1-yl]pyridine
CID 80662154
4-[2-(2-bromoethyl)piperidin-1-yl]-6-ethylpyrimidine
CID 80670776
4-[2-(2-bromoethyl)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 80671765
4-[2-(2-bromoethyl)piperidin-1-yl]-6-ethoxypyrimidine
CID 80663054
2-(2-bromoethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
CID 103015231
3-bromo-4-[2-(2-bromoethyl)piperidin-1-yl]pyridine
CID 104779467
2-[2-(2-bromoethyl)pyrrolidin-1-yl]-4-methylpyridine
CID 130534011
1-(1-methylimidazol-2-yl)piperidine;dihydrochloride
CID 141222572

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethyl)-1-(1-methylimidazol-2-yl)piperidine?
The IUPAC name of 2-(2-bromoethyl)-1-(1-methylimidazol-2-yl)piperidine (CID 80662448) is 2-(2-bromoethyl)-1-(1-methylimidazol-2-yl)piperidine.
What is the SMILES notation for 2-(2-bromoethyl)-1-(1-methylimidazol-2-yl)piperidine?
The canonical SMILES for 2-(2-bromoethyl)-1-(1-methylimidazol-2-yl)piperidine is Cn1ccnc1N1CCCCC1CCBr.
What is the InChIKey of 2-(2-bromoethyl)-1-(1-methylimidazol-2-yl)piperidine?
The InChIKey is ARHAXGODXLJAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-14-9-7-13-11(14)15-8-3-2-4-10(15)5-6-12/h7,9-10H,2-6,8H2,1H3.
What are the key properties of 2-(2-bromoethyl)-1-(1-methylimidazol-2-yl)piperidine?
2-(2-bromoethyl)-1-(1-methylimidazol-2-yl)piperidine has a molecular weight of 272.19 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)-1-(1-methylimidazol-2-yl)piperidine is sourced from PubChem (CID 80662448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).