4-(5-bromo-1-methylpyrrol-3-yl)piperidine

C10H15BrN2 — CID 84703722

IUPAC4-(5-bromo-1-methylpyrrol-3-yl)piperidine
SMILESCn1cc(C2CCNCC2)cc1Br
InChIInChI=1S/C10H15BrN2/c1-13-7-9(6-10(13)11)8-2-4-12-5-3-8/h6-8,12H,2-5H2,1H3
InChIKeyCKRJOIIKMHTIER-UHFFFAOYSA-N
MW243.15 g/mol
LogP2.25
Rot. Bonds1

About 4-(5-bromo-1-methylpyrrol-3-yl)piperidine

4-(5-bromo-1-methylpyrrol-3-yl)piperidine (PubChem CID 84703722) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 4-(5-bromo-1-methylpyrrol-3-yl)piperidine.

Molecular Properties

Compound Name4-(5-bromo-1-methylpyrrol-3-yl)piperidine
PubChem CID84703722
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name4-(5-bromo-1-methylpyrrol-3-yl)piperidine
SMILESCn1cc(C2CCNCC2)cc1Br
InChIInChI=1S/C10H15BrN2/c1-13-7-9(6-10(13)11)8-2-4-12-5-3-8/h6-8,12H,2-5H2,1H3
InChIKeyCKRJOIIKMHTIER-UHFFFAOYSA-N
XLogP2.25
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-1-methylpyrrol-3-yl)piperidine?
The IUPAC name of 4-(5-bromo-1-methylpyrrol-3-yl)piperidine (CID 84703722) is 4-(5-bromo-1-methylpyrrol-3-yl)piperidine.
What is the SMILES notation for 4-(5-bromo-1-methylpyrrol-3-yl)piperidine?
The canonical SMILES for 4-(5-bromo-1-methylpyrrol-3-yl)piperidine is Cn1cc(C2CCNCC2)cc1Br.
What is the InChIKey of 4-(5-bromo-1-methylpyrrol-3-yl)piperidine?
The InChIKey is CKRJOIIKMHTIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-13-7-9(6-10(13)11)8-2-4-12-5-3-8/h6-8,12H,2-5H2,1H3.
What are the key properties of 4-(5-bromo-1-methylpyrrol-3-yl)piperidine?
4-(5-bromo-1-methylpyrrol-3-yl)piperidine has a molecular weight of 243.15 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-1-methylpyrrol-3-yl)piperidine is sourced from PubChem (CID 84703722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).