1-[(3-bromothiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine

C14H18BrN3OS — CID 11279727

IUPAC1-[(3-bromothiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
SMILESBrc1ccsc1CN1CCC(OCc2cnc[nH]2)CC1
InChIInChI=1S/C14H18BrN3OS/c15-13-3-6-20-14(13)8-18-4-1-12(2-5-18)19-9-11-7-16-10-17-11/h3,6-7,10,12H,1-2,4-5,8-9H2,(H,16,17)
InChIKeyJPCFEZFYPRRUKT-UHFFFAOYSA-N
MW356.29 g/mol
LogP3.41
Rot. Bonds5

About 1-[(3-bromothiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine

1-[(3-bromothiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine (PubChem CID 11279727) has the molecular formula C14H18BrN3OS and a molecular weight of 356.29 g/mol. Its IUPAC name is 1-[(3-bromothiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine.

Molecular Properties

Compound Name1-[(3-bromothiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
PubChem CID11279727
Molecular FormulaC14H18BrN3OS
Molecular Weight356.29 g/mol
Exact Mass355.04
IUPAC Name1-[(3-bromothiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
SMILESBrc1ccsc1CN1CCC(OCc2cnc[nH]2)CC1
InChIInChI=1S/C14H18BrN3OS/c15-13-3-6-20-14(13)8-18-4-1-12(2-5-18)19-9-11-7-16-10-17-11/h3,6-7,10,12H,1-2,4-5,8-9H2,(H,16,17)
InChIKeyJPCFEZFYPRRUKT-UHFFFAOYSA-N
XLogP3.41
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethoxymethyl)-8-methyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118743048
5-[(3-bromothiophen-2-yl)-methoxymethyl]-1H-imidazole
CID 10516365
4-(1H-imidazol-5-ylmethoxy)-1-[(5-methylsulfanylthiophen-2-yl)methyl]piperidine
CID 11186376
4-(1H-imidazol-5-ylmethoxy)-1-[[4-(2-phenylethynyl)thiophen-2-yl]methyl]piperidine
CID 11222655
3-[[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]methyl]thiophene-2-carbonitrile
CID 11243580
4-(1H-imidazol-5-ylmethoxy)-1-(thiophen-3-ylmethyl)piperidine
CID 11288932
4-(1H-imidazol-5-ylmethoxy)-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 11392180
1-[(5-ethylthiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
CID 11392584
1-[(5-chlorothiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
CID 11392794
4-(1H-imidazol-5-ylmethoxy)-1-[(3-methylthiophen-2-yl)methyl]piperidine
CID 11426331
1-[(3-Bromo-2-thienyl)methyl]-4-[(5-methyl-1H-imidazol-4-yl)methoxy]-piperidine
CID 11428655
4-(1H-imidazol-5-ylmethoxy)-1-[(5-thiophen-2-ylthiophen-2-yl)methyl]piperidine
CID 11439803

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine?
The IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine (CID 11279727) is 1-[(3-bromothiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine.
What is the SMILES notation for 1-[(3-bromothiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine?
The canonical SMILES for 1-[(3-bromothiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine is Brc1ccsc1CN1CCC(OCc2cnc[nH]2)CC1.
What is the InChIKey of 1-[(3-bromothiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine?
The InChIKey is JPCFEZFYPRRUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3OS/c15-13-3-6-20-14(13)8-18-4-1-12(2-5-18)19-9-11-7-16-10-17-11/h3,6-7,10,12H,1-2,4-5,8-9H2,(H,16,17).
What are the key properties of 1-[(3-bromothiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine?
1-[(3-bromothiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine has a molecular weight of 356.29 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromothiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine is sourced from PubChem (CID 11279727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).