3-(4-bromofuran-3-yl)piperidine

C9H12BrNO — CID 82390956

IUPAC3-(4-bromofuran-3-yl)piperidine
SMILESBrc1cocc1C1CCCNC1
InChIInChI=1S/C9H12BrNO/c10-9-6-12-5-8(9)7-2-1-3-11-4-7/h5-7,11H,1-4H2
InChIKeyVNUKESAGLZPDET-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.51
Rot. Bonds1

About 3-(4-bromofuran-3-yl)piperidine

3-(4-bromofuran-3-yl)piperidine (PubChem CID 82390956) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 3-(4-bromofuran-3-yl)piperidine.

Molecular Properties

Compound Name3-(4-bromofuran-3-yl)piperidine
PubChem CID82390956
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name3-(4-bromofuran-3-yl)piperidine
SMILESBrc1cocc1C1CCCNC1
InChIInChI=1S/C9H12BrNO/c10-9-6-12-5-8(9)7-2-1-3-11-4-7/h5-7,11H,1-4H2
InChIKeyVNUKESAGLZPDET-UHFFFAOYSA-N
XLogP2.51
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7-bromo-1,3-benzodioxol-4-yl)piperidine
CID 117456883
(3R)-3-(2-bromo-5-iodophenyl)piperidine
CID 131218525
(3S)-3-(3-bromo-2-methylphenyl)piperidine
CID 130792046
(3R)-3-(2-bromo-5-fluorophenyl)piperidine
CID 130626655
3-(6-bromo-2,2-dimethyl-1,3-benzodioxol-5-yl)piperidine
CID 117497145
(3S)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713052
3-(4-bromo-2-chloro-3-fluorophenyl)piperidine
CID 117472474
(3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713053
3-(3-bromo-4-methylphenyl)piperidine
CID 82381644
3-(5-bromofuran-2-yl)piperidine
CID 82390955
2-bromo-4-methoxy-6-piperidin-3-ylphenol
CID 117460908
(3R)-3-(2-bromo-3-fluorophenyl)piperidine
CID 130628517

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromofuran-3-yl)piperidine?
The IUPAC name of 3-(4-bromofuran-3-yl)piperidine (CID 82390956) is 3-(4-bromofuran-3-yl)piperidine.
What is the SMILES notation for 3-(4-bromofuran-3-yl)piperidine?
The canonical SMILES for 3-(4-bromofuran-3-yl)piperidine is Brc1cocc1C1CCCNC1.
What is the InChIKey of 3-(4-bromofuran-3-yl)piperidine?
The InChIKey is VNUKESAGLZPDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c10-9-6-12-5-8(9)7-2-1-3-11-4-7/h5-7,11H,1-4H2.
What are the key properties of 3-(4-bromofuran-3-yl)piperidine?
3-(4-bromofuran-3-yl)piperidine has a molecular weight of 230.10 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromofuran-3-yl)piperidine is sourced from PubChem (CID 82390956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).