4-(3-bromo-4-imidazol-1-ylphenyl)piperidine

C14H16BrN3 — CID 117491374

IUPAC4-(3-bromo-4-imidazol-1-ylphenyl)piperidine
SMILESBrc1cc(C2CCNCC2)ccc1-n1ccnc1
InChIInChI=1S/C14H16BrN3/c15-13-9-12(11-3-5-16-6-4-11)1-2-14(13)18-8-7-17-10-18/h1-2,7-11,16H,3-6H2
InChIKeyFLLZUENVRDHTAB-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.10
Rot. Bonds2

About 4-(3-bromo-4-imidazol-1-ylphenyl)piperidine

4-(3-bromo-4-imidazol-1-ylphenyl)piperidine (PubChem CID 117491374) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 4-(3-bromo-4-imidazol-1-ylphenyl)piperidine.

Molecular Properties

Compound Name4-(3-bromo-4-imidazol-1-ylphenyl)piperidine
PubChem CID117491374
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name4-(3-bromo-4-imidazol-1-ylphenyl)piperidine
SMILESBrc1cc(C2CCNCC2)ccc1-n1ccnc1
InChIInChI=1S/C14H16BrN3/c15-13-9-12(11-3-5-16-6-4-11)1-2-14(13)18-8-7-17-10-18/h1-2,7-11,16H,3-6H2
InChIKeyFLLZUENVRDHTAB-UHFFFAOYSA-N
XLogP3.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-imidazol-1-ylphenyl)piperidine?
The IUPAC name of 4-(3-bromo-4-imidazol-1-ylphenyl)piperidine (CID 117491374) is 4-(3-bromo-4-imidazol-1-ylphenyl)piperidine.
What is the SMILES notation for 4-(3-bromo-4-imidazol-1-ylphenyl)piperidine?
The canonical SMILES for 4-(3-bromo-4-imidazol-1-ylphenyl)piperidine is Brc1cc(C2CCNCC2)ccc1-n1ccnc1.
What is the InChIKey of 4-(3-bromo-4-imidazol-1-ylphenyl)piperidine?
The InChIKey is FLLZUENVRDHTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c15-13-9-12(11-3-5-16-6-4-11)1-2-14(13)18-8-7-17-10-18/h1-2,7-11,16H,3-6H2.
What are the key properties of 4-(3-bromo-4-imidazol-1-ylphenyl)piperidine?
4-(3-bromo-4-imidazol-1-ylphenyl)piperidine has a molecular weight of 306.21 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-imidazol-1-ylphenyl)piperidine is sourced from PubChem (CID 117491374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).