3-(3-bromothiophen-2-yl)piperidine

C9H12BrNS — CID 82664967

IUPAC3-(3-bromothiophen-2-yl)piperidine
SMILESBrc1ccsc1C1CCCNC1
InChIInChI=1S/C9H12BrNS/c10-8-3-5-12-9(8)7-2-1-4-11-6-7/h3,5,7,11H,1-2,4,6H2
InChIKeyVOANUIQXJWRGDT-UHFFFAOYSA-N
MW246.17 g/mol
LogP2.98
Rot. Bonds1

About 3-(3-bromothiophen-2-yl)piperidine

3-(3-bromothiophen-2-yl)piperidine (PubChem CID 82664967) has the molecular formula C9H12BrNS and a molecular weight of 246.17 g/mol. Its IUPAC name is 3-(3-bromothiophen-2-yl)piperidine.

Molecular Properties

Compound Name3-(3-bromothiophen-2-yl)piperidine
PubChem CID82664967
Molecular FormulaC9H12BrNS
Molecular Weight246.17 g/mol
Exact Mass244.99
IUPAC Name3-(3-bromothiophen-2-yl)piperidine
SMILESBrc1ccsc1C1CCCNC1
InChIInChI=1S/C9H12BrNS/c10-8-3-5-12-9(8)7-2-1-4-11-6-7/h3,5,7,11H,1-2,4,6H2
InChIKeyVOANUIQXJWRGDT-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.17
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-bromothiophen-2-yl)azepane
CID 83261383
(3R)-3-(3-methylthiophen-2-yl)piperidine
CID 93478534
(2R)-2-(3-bromothiophen-2-yl)piperazine
CID 130612052
(2S)-2-(3-bromothiophen-2-yl)azetidine
CID 130886552
3-(3-bromothiophen-2-yl)-8-azabicyclo[3.2.1]octane
CID 130493813
3-(3-chlorothiophen-2-yl)pyrrolidine
CID 82655748
2-bromo-4-piperidin-3-ylaniline
CID 130039466
3-[(3-bromothiophen-2-yl)-fluoromethyl]piperidine
CID 112565383
2-(2-bromophenyl)-4-piperidin-3-yl-1,3-thiazole
CID 116888718
4-(3-bromothiophen-2-yl)-3-propylpiperidine
CID 115381531
4-(3-bromothiophen-2-yl)-3-(2-chlorophenyl)piperidine
CID 115381544
3-(3-bromo-4-methylphenyl)piperidine
CID 82381644

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromothiophen-2-yl)piperidine?
The IUPAC name of 3-(3-bromothiophen-2-yl)piperidine (CID 82664967) is 3-(3-bromothiophen-2-yl)piperidine.
What is the SMILES notation for 3-(3-bromothiophen-2-yl)piperidine?
The canonical SMILES for 3-(3-bromothiophen-2-yl)piperidine is Brc1ccsc1C1CCCNC1.
What is the InChIKey of 3-(3-bromothiophen-2-yl)piperidine?
The InChIKey is VOANUIQXJWRGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNS/c10-8-3-5-12-9(8)7-2-1-4-11-6-7/h3,5,7,11H,1-2,4,6H2.
What are the key properties of 3-(3-bromothiophen-2-yl)piperidine?
3-(3-bromothiophen-2-yl)piperidine has a molecular weight of 246.17 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromothiophen-2-yl)piperidine is sourced from PubChem (CID 82664967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).