4-(1-bromoethyl)-1-(1-ethylimidazol-2-yl)piperidine

C12H20BrN3 — CID 106838681

IUPAC4-(1-bromoethyl)-1-(1-ethylimidazol-2-yl)piperidine
SMILESCCn1ccnc1N1CCC(C(C)Br)CC1
InChIInChI=1S/C12H20BrN3/c1-3-15-9-6-14-12(15)16-7-4-11(5-8-16)10(2)13/h6,9-11H,3-5,7-8H2,1-2H3
InChIKeyVUNPQOABENFDLW-UHFFFAOYSA-N
MW286.22 g/mol
LogP2.90
Rot. Bonds3

About 4-(1-bromoethyl)-1-(1-ethylimidazol-2-yl)piperidine

4-(1-bromoethyl)-1-(1-ethylimidazol-2-yl)piperidine (PubChem CID 106838681) has the molecular formula C12H20BrN3 and a molecular weight of 286.22 g/mol. Its IUPAC name is 4-(1-bromoethyl)-1-(1-ethylimidazol-2-yl)piperidine.

Molecular Properties

Compound Name4-(1-bromoethyl)-1-(1-ethylimidazol-2-yl)piperidine
PubChem CID106838681
Molecular FormulaC12H20BrN3
Molecular Weight286.22 g/mol
Exact Mass285.08
IUPAC Name4-(1-bromoethyl)-1-(1-ethylimidazol-2-yl)piperidine
SMILESCCn1ccnc1N1CCC(C(C)Br)CC1
InChIInChI=1S/C12H20BrN3/c1-3-15-9-6-14-12(15)16-7-4-11(5-8-16)10(2)13/h6,9-11H,3-5,7-8H2,1-2H3
InChIKeyVUNPQOABENFDLW-UHFFFAOYSA-N
XLogP2.90
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 52.90
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

3-bromo-1-(1-ethylimidazol-2-yl)-4-methylpiperidine
CID 102961110
1-(1-ethylimidazol-2-yl)-N-methylpyrrolidin-3-amine
CID 115300867
3-[4-(1-bromoethyl)piperidin-1-yl]-1-propylpyrazin-2-one
CID 106838619
2-(1-bromoethyl)-1-ethylimidazole
CID 71635251
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
1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-propylpentan-1-one
CID 42111025
1-cyclopropyl-2-(1-ethylimidazol-2-yl)ethane-1,2-diol
CID 103456993
N-ethyl-1-[1-(1-methylimidazol-2-yl)piperidin-4-yl]ethanamine
CID 55256485
(3aR,7aS)-2-(1-ethylimidazol-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 55039297
1-[1-(1-cyclohexylimidazol-2-yl)piperidin-4-yl]ethanamine
CID 106551938
5-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]pyridin-2-amine
CID 62137504

Frequently Asked Questions

What is the IUPAC name of 4-(1-bromoethyl)-1-(1-ethylimidazol-2-yl)piperidine?
The IUPAC name of 4-(1-bromoethyl)-1-(1-ethylimidazol-2-yl)piperidine (CID 106838681) is 4-(1-bromoethyl)-1-(1-ethylimidazol-2-yl)piperidine.
What is the SMILES notation for 4-(1-bromoethyl)-1-(1-ethylimidazol-2-yl)piperidine?
The canonical SMILES for 4-(1-bromoethyl)-1-(1-ethylimidazol-2-yl)piperidine is CCn1ccnc1N1CCC(C(C)Br)CC1.
What is the InChIKey of 4-(1-bromoethyl)-1-(1-ethylimidazol-2-yl)piperidine?
The InChIKey is VUNPQOABENFDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3/c1-3-15-9-6-14-12(15)16-7-4-11(5-8-16)10(2)13/h6,9-11H,3-5,7-8H2,1-2H3.
What are the key properties of 4-(1-bromoethyl)-1-(1-ethylimidazol-2-yl)piperidine?
4-(1-bromoethyl)-1-(1-ethylimidazol-2-yl)piperidine has a molecular weight of 286.22 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromoethyl)-1-(1-ethylimidazol-2-yl)piperidine is sourced from PubChem (CID 106838681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).