3-[2-(5-bromofuran-2-yl)ethyl]piperidine

C11H16BrNO — CID 83488604

IUPAC3-[2-(5-bromofuran-2-yl)ethyl]piperidine
SMILESBrc1ccc(CCC2CCCNC2)o1
InChIInChI=1S/C11H16BrNO/c12-11-6-5-10(14-11)4-3-9-2-1-7-13-8-9/h5-6,9,13H,1-4,7-8H2
InChIKeyXRNCNOIHWYMKQL-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.97
Rot. Bonds3

About 3-[2-(5-bromofuran-2-yl)ethyl]piperidine

3-[2-(5-bromofuran-2-yl)ethyl]piperidine (PubChem CID 83488604) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 3-[2-(5-bromofuran-2-yl)ethyl]piperidine.

Molecular Properties

Compound Name3-[2-(5-bromofuran-2-yl)ethyl]piperidine
PubChem CID83488604
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name3-[2-(5-bromofuran-2-yl)ethyl]piperidine
SMILESBrc1ccc(CCC2CCCNC2)o1
InChIInChI=1S/C11H16BrNO/c12-11-6-5-10(14-11)4-3-9-2-1-7-13-8-9/h5-6,9,13H,1-4,7-8H2
InChIKeyXRNCNOIHWYMKQL-UHFFFAOYSA-N
XLogP2.97
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromofuran-2-yl)methyl]piperidin-3-amine
CID 131204068
(3S)-3-[(5-methylfuran-2-yl)methyl]piperidine
CID 130804196
3-[(5-bromofuran-2-yl)methoxymethyl]pyrrolidine
CID 62371420
3-(5-bromofuran-2-yl)piperidine
CID 82390955
4-(2-piperidin-3-ylethyl)benzenethiol
CID 142937615
3-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride
CID 126844820
N-[(5-bromofuran-2-yl)methyl]-N-propylpiperidin-3-amine
CID 63638455
3-[(5-bromofuran-2-yl)methyl]cyclohexan-1-ol
CID 130835243
5-bromo-N-methyl-N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]furan-2-carboxamide
CID 119555101
3-[2-(2,3,4-trimethylphenyl)ethyl]piperidine
CID 116925658
2-bromo-5-[[(3S)-piperidin-3-yl]methyl]pyridine
CID 130804072
3-[2-(2,5-difluorophenyl)ethyl]piperidine
CID 62234772

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-bromofuran-2-yl)ethyl]piperidine?
The IUPAC name of 3-[2-(5-bromofuran-2-yl)ethyl]piperidine (CID 83488604) is 3-[2-(5-bromofuran-2-yl)ethyl]piperidine.
What is the SMILES notation for 3-[2-(5-bromofuran-2-yl)ethyl]piperidine?
The canonical SMILES for 3-[2-(5-bromofuran-2-yl)ethyl]piperidine is Brc1ccc(CCC2CCCNC2)o1.
What is the InChIKey of 3-[2-(5-bromofuran-2-yl)ethyl]piperidine?
The InChIKey is XRNCNOIHWYMKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c12-11-6-5-10(14-11)4-3-9-2-1-7-13-8-9/h5-6,9,13H,1-4,7-8H2.
What are the key properties of 3-[2-(5-bromofuran-2-yl)ethyl]piperidine?
3-[2-(5-bromofuran-2-yl)ethyl]piperidine has a molecular weight of 258.16 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-bromofuran-2-yl)ethyl]piperidine is sourced from PubChem (CID 83488604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).