4-[4-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine

C15H18BrN3 — CID 84715755

IUPAC4-[4-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine
SMILESCn1cc(-c2cccc(Br)c2)nc1C1CCNCC1
InChIInChI=1S/C15H18BrN3/c1-19-10-14(12-3-2-4-13(16)9-12)18-15(19)11-5-7-17-8-6-11/h2-4,9-11,17H,5-8H2,1H3
InChIKeyKRNSQJQDSCWOST-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.32
Rot. Bonds2

About 4-[4-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine

4-[4-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine (PubChem CID 84715755) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 4-[4-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine.

Molecular Properties

Compound Name4-[4-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine
PubChem CID84715755
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name4-[4-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine
SMILESCn1cc(-c2cccc(Br)c2)nc1C1CCNCC1
InChIInChI=1S/C15H18BrN3/c1-19-10-14(12-3-2-4-13(16)9-12)18-15(19)11-5-7-17-8-6-11/h2-4,9-11,17H,5-8H2,1H3
InChIKeyKRNSQJQDSCWOST-UHFFFAOYSA-N
XLogP3.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromophenyl)piperidine;hydrochloride
CID 46735221
4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine
CID 89442697
3-(3-bromophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 28805674
2-(3-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine
CID 82378246
4-(4-tert-butyl-1-methylimidazol-2-yl)piperidine
CID 82463399
4-[1-[2-(azetidin-1-yl)ethyl]-4-[3-(trifluoromethoxy)phenyl]imidazol-2-yl]piperidine
CID 89442875
4-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43650774
2-(3-bromophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
CID 116885080
4-(3-bromophenyl)-5-piperidin-4-yl-1,2-oxazole
CID 115053948
4-(3-bromophenyl)-2-cyclopropyl-1,3-oxazole
CID 115049175
2-(3-bromophenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117154544
2-[4-(3-chloro-4-fluorophenyl)-2-piperidin-4-ylimidazol-1-yl]-N,N-dimethylethanamine;trihydrochloride
CID 67264736

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine?
The IUPAC name of 4-[4-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine (CID 84715755) is 4-[4-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine.
What is the SMILES notation for 4-[4-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine?
The canonical SMILES for 4-[4-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine is Cn1cc(-c2cccc(Br)c2)nc1C1CCNCC1.
What is the InChIKey of 4-[4-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine?
The InChIKey is KRNSQJQDSCWOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-19-10-14(12-3-2-4-13(16)9-12)18-15(19)11-5-7-17-8-6-11/h2-4,9-11,17H,5-8H2,1H3.
What are the key properties of 4-[4-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine?
4-[4-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine has a molecular weight of 320.23 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine is sourced from PubChem (CID 84715755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).