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

C15H18BrN3 — CID 82558165

IUPAC4-[2-[(3-bromophenyl)methyl]imidazol-1-yl]piperidine
SMILESBrc1cccc(Cc2nccn2C2CCNCC2)c1
InChIInChI=1S/C15H18BrN3/c16-13-3-1-2-12(10-13)11-15-18-8-9-19(15)14-4-6-17-7-5-14/h1-3,8-10,14,17H,4-7,11H2
InChIKeyMKAXXGPHMPAYKT-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.16
Rot. Bonds3

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

4-[2-[(3-bromophenyl)methyl]imidazol-1-yl]piperidine (PubChem CID 82558165) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 4-[2-[(3-bromophenyl)methyl]imidazol-1-yl]piperidine.

Molecular Properties

Compound Name4-[2-[(3-bromophenyl)methyl]imidazol-1-yl]piperidine
PubChem CID82558165
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name4-[2-[(3-bromophenyl)methyl]imidazol-1-yl]piperidine
SMILESBrc1cccc(Cc2nccn2C2CCNCC2)c1
InChIInChI=1S/C15H18BrN3/c16-13-3-1-2-12(10-13)11-15-18-8-9-19(15)14-4-6-17-7-5-14/h1-3,8-10,14,17H,4-7,11H2
InChIKeyMKAXXGPHMPAYKT-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

4-[2-(3-bromophenyl)imidazol-1-yl]piperidine
CID 82559766
4-[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]piperidine
CID 82558361
4-[2-(4-bromophenyl)imidazol-1-yl]piperidine
CID 82559669
[4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558174
3-[(3-bromophenyl)methyl]-4-cyclopropyl-1H-1,2,4-triazole-5-thione
CID 113300234
4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenol
CID 82560108
4-[2-[(3-bromophenyl)methyl]imidazol-1-yl]butan-1-amine
CID 82558169
[3-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558173
4-[5-(3-bromophenyl)imidazol-1-yl]piperidine
CID 84739493
1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561963
4-[3-[2-[(3-bromophenyl)methyl]imidazol-1-yl]propyl]morpholine
CID 82561888
3-[(3-bromophenyl)methyl]-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 62586456

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-bromophenyl)methyl]imidazol-1-yl]piperidine?
The IUPAC name of 4-[2-[(3-bromophenyl)methyl]imidazol-1-yl]piperidine (CID 82558165) is 4-[2-[(3-bromophenyl)methyl]imidazol-1-yl]piperidine.
What is the SMILES notation for 4-[2-[(3-bromophenyl)methyl]imidazol-1-yl]piperidine?
The canonical SMILES for 4-[2-[(3-bromophenyl)methyl]imidazol-1-yl]piperidine is Brc1cccc(Cc2nccn2C2CCNCC2)c1.
What is the InChIKey of 4-[2-[(3-bromophenyl)methyl]imidazol-1-yl]piperidine?
The InChIKey is MKAXXGPHMPAYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c16-13-3-1-2-12(10-13)11-15-18-8-9-19(15)14-4-6-17-7-5-14/h1-3,8-10,14,17H,4-7,11H2.
What are the key properties of 4-[2-[(3-bromophenyl)methyl]imidazol-1-yl]piperidine?
4-[2-[(3-bromophenyl)methyl]imidazol-1-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 4-[2-[(3-bromophenyl)methyl]imidazol-1-yl]piperidine is sourced from PubChem (CID 82558165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).