3-[3-[(2-bromophenyl)methyl]imidazol-4-yl]piperidine

C15H18BrN3 — CID 114704979

IUPAC3-[3-[(2-bromophenyl)methyl]imidazol-4-yl]piperidine
SMILESBrc1ccccc1Cn1cncc1C1CCCNC1
InChIInChI=1S/C15H18BrN3/c16-14-6-2-1-4-13(14)10-19-11-18-9-15(19)12-5-3-7-17-8-12/h1-2,4,6,9,11-12,17H,3,5,7-8,10H2
InChIKeyJHFIQABRWZNZHR-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.16
Rot. Bonds3

About 3-[3-[(2-bromophenyl)methyl]imidazol-4-yl]piperidine

3-[3-[(2-bromophenyl)methyl]imidazol-4-yl]piperidine (PubChem CID 114704979) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 3-[3-[(2-bromophenyl)methyl]imidazol-4-yl]piperidine.

Molecular Properties

Compound Name3-[3-[(2-bromophenyl)methyl]imidazol-4-yl]piperidine
PubChem CID114704979
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name3-[3-[(2-bromophenyl)methyl]imidazol-4-yl]piperidine
SMILESBrc1ccccc1Cn1cncc1C1CCCNC1
InChIInChI=1S/C15H18BrN3/c16-14-6-2-1-4-13(14)10-19-11-18-9-15(19)12-5-3-7-17-8-12/h1-2,4,6,9,11-12,17H,3,5,7-8,10H2
InChIKeyJHFIQABRWZNZHR-UHFFFAOYSA-N
XLogP3.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]piperidine
CID 106261736
N,N-dimethyl-2-(5-piperidin-3-ylimidazol-1-yl)ethanamine
CID 114703731
3-(3-butylimidazol-4-yl)piperidine
CID 114702793
3-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]piperidine
CID 114704736
3-[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]piperidine
CID 114706130
1-[2-(5-piperidin-3-ylimidazol-1-yl)ethyl]piperidine
CID 114704706
3-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114703121
3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114704865
3-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]piperidine
CID 114706511
3-methyl-5-[(5-piperidin-3-ylimidazol-1-yl)methyl]-1,2-oxazole
CID 114705195
3-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine
CID 102909112
1-(2-phenylethyl)-5-pyrrolidin-3-ylimidazole
CID 114716968

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-bromophenyl)methyl]imidazol-4-yl]piperidine?
The IUPAC name of 3-[3-[(2-bromophenyl)methyl]imidazol-4-yl]piperidine (CID 114704979) is 3-[3-[(2-bromophenyl)methyl]imidazol-4-yl]piperidine.
What is the SMILES notation for 3-[3-[(2-bromophenyl)methyl]imidazol-4-yl]piperidine?
The canonical SMILES for 3-[3-[(2-bromophenyl)methyl]imidazol-4-yl]piperidine is Brc1ccccc1Cn1cncc1C1CCCNC1.
What is the InChIKey of 3-[3-[(2-bromophenyl)methyl]imidazol-4-yl]piperidine?
The InChIKey is JHFIQABRWZNZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c16-14-6-2-1-4-13(14)10-19-11-18-9-15(19)12-5-3-7-17-8-12/h1-2,4,6,9,11-12,17H,3,5,7-8,10H2.
What are the key properties of 3-[3-[(2-bromophenyl)methyl]imidazol-4-yl]piperidine?
3-[3-[(2-bromophenyl)methyl]imidazol-4-yl]piperidine has a molecular weight of 320.23 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-bromophenyl)methyl]imidazol-4-yl]piperidine is sourced from PubChem (CID 114704979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).