3-[3-(4-bromophenyl)imidazol-4-yl]piperidine

C14H16BrN3 — CID 114703751

IUPAC3-[3-(4-bromophenyl)imidazol-4-yl]piperidine
SMILESBrc1ccc(-n2cncc2C2CCCNC2)cc1
InChIInChI=1S/C14H16BrN3/c15-12-3-5-13(6-4-12)18-10-17-9-14(18)11-2-1-7-16-8-11/h3-6,9-11,16H,1-2,7-8H2
InChIKeySUGNYMVFUYSUDD-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.10
Rot. Bonds2

About 3-[3-(4-bromophenyl)imidazol-4-yl]piperidine

3-[3-(4-bromophenyl)imidazol-4-yl]piperidine (PubChem CID 114703751) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 3-[3-(4-bromophenyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name3-[3-(4-bromophenyl)imidazol-4-yl]piperidine
PubChem CID114703751
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name3-[3-(4-bromophenyl)imidazol-4-yl]piperidine
SMILESBrc1ccc(-n2cncc2C2CCCNC2)cc1
InChIInChI=1S/C14H16BrN3/c15-12-3-5-13(6-4-12)18-10-17-9-14(18)11-2-1-7-16-8-11/h3-6,9-11,16H,1-2,7-8H2
InChIKeySUGNYMVFUYSUDD-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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Related Compounds

3-[3-(4-propan-2-ylphenyl)imidazol-4-yl]piperidine
CID 114702820
3-[3-(3,4-difluorophenyl)imidazol-4-yl]piperidine
CID 114703474
3-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]piperidine
CID 114704028
3-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine
CID 114702986
3-[3-(3,5-dimethoxyphenyl)imidazol-4-yl]piperidine
CID 114702909
3-bromo-5-(5-pyrrolidin-3-ylimidazol-1-yl)pyridine
CID 114223410
1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716402
3-bromo-4-(5-piperidin-3-ylimidazol-1-yl)benzonitrile
CID 107795823
1-(4-bromo-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716753
1-(4-methylsulfonylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114717611
N,N-dimethyl-2-(5-piperidin-3-ylimidazol-1-yl)ethanamine
CID 114703731
4-[3-(4-chlorophenyl)imidazol-4-yl]piperidine
CID 114702647

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-bromophenyl)imidazol-4-yl]piperidine?
The IUPAC name of 3-[3-(4-bromophenyl)imidazol-4-yl]piperidine (CID 114703751) is 3-[3-(4-bromophenyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 3-[3-(4-bromophenyl)imidazol-4-yl]piperidine?
The canonical SMILES for 3-[3-(4-bromophenyl)imidazol-4-yl]piperidine is Brc1ccc(-n2cncc2C2CCCNC2)cc1.
What is the InChIKey of 3-[3-(4-bromophenyl)imidazol-4-yl]piperidine?
The InChIKey is SUGNYMVFUYSUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c15-12-3-5-13(6-4-12)18-10-17-9-14(18)11-2-1-7-16-8-11/h3-6,9-11,16H,1-2,7-8H2.
What are the key properties of 3-[3-(4-bromophenyl)imidazol-4-yl]piperidine?
3-[3-(4-bromophenyl)imidazol-4-yl]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 3-[3-(4-bromophenyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114703751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).