1-(4-bromo-1-propan-2-ylimidazol-2-yl)piperidine

C11H18BrN3 — CID 117189663

IUPAC1-(4-bromo-1-propan-2-ylimidazol-2-yl)piperidine
SMILESCC(C)n1cc(Br)nc1N1CCCCC1
InChIInChI=1S/C11H18BrN3/c1-9(2)15-8-10(12)13-11(15)14-6-4-3-5-7-14/h8-9H,3-7H2,1-2H3
InChIKeyVLZNOJNTCKKJJL-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.22
Rot. Bonds2

About 1-(4-bromo-1-propan-2-ylimidazol-2-yl)piperidine

1-(4-bromo-1-propan-2-ylimidazol-2-yl)piperidine (PubChem CID 117189663) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-(4-bromo-1-propan-2-ylimidazol-2-yl)piperidine.

Molecular Properties

Compound Name1-(4-bromo-1-propan-2-ylimidazol-2-yl)piperidine
PubChem CID117189663
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name1-(4-bromo-1-propan-2-ylimidazol-2-yl)piperidine
SMILESCC(C)n1cc(Br)nc1N1CCCCC1
InChIInChI=1S/C11H18BrN3/c1-9(2)15-8-10(12)13-11(15)14-6-4-3-5-7-14/h8-9H,3-7H2,1-2H3
InChIKeyVLZNOJNTCKKJJL-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propan-2-ylimidazol-2-yl)piperidine?
The IUPAC name of 1-(4-bromo-1-propan-2-ylimidazol-2-yl)piperidine (CID 117189663) is 1-(4-bromo-1-propan-2-ylimidazol-2-yl)piperidine.
What is the SMILES notation for 1-(4-bromo-1-propan-2-ylimidazol-2-yl)piperidine?
The canonical SMILES for 1-(4-bromo-1-propan-2-ylimidazol-2-yl)piperidine is CC(C)n1cc(Br)nc1N1CCCCC1.
What is the InChIKey of 1-(4-bromo-1-propan-2-ylimidazol-2-yl)piperidine?
The InChIKey is VLZNOJNTCKKJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-9(2)15-8-10(12)13-11(15)14-6-4-3-5-7-14/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(4-bromo-1-propan-2-ylimidazol-2-yl)piperidine?
1-(4-bromo-1-propan-2-ylimidazol-2-yl)piperidine has a molecular weight of 272.19 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propan-2-ylimidazol-2-yl)piperidine is sourced from PubChem (CID 117189663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).