4-(3-bromothiophen-2-yl)-3-propylpiperidine

C12H18BrNS — CID 115381531

IUPAC4-(3-bromothiophen-2-yl)-3-propylpiperidine
SMILESCCCC1CNCCC1c1sccc1Br
InChIInChI=1S/C12H18BrNS/c1-2-3-9-8-14-6-4-10(9)12-11(13)5-7-15-12/h5,7,9-10,14H,2-4,6,8H2,1H3
InChIKeyQANHAEOICAJVNF-UHFFFAOYSA-N
MW288.25 g/mol
LogP4.00
Rot. Bonds3

About 4-(3-bromothiophen-2-yl)-3-propylpiperidine

4-(3-bromothiophen-2-yl)-3-propylpiperidine (PubChem CID 115381531) has the molecular formula C12H18BrNS and a molecular weight of 288.25 g/mol. Its IUPAC name is 4-(3-bromothiophen-2-yl)-3-propylpiperidine.

Molecular Properties

Compound Name4-(3-bromothiophen-2-yl)-3-propylpiperidine
PubChem CID115381531
Molecular FormulaC12H18BrNS
Molecular Weight288.25 g/mol
Exact Mass287.03
IUPAC Name4-(3-bromothiophen-2-yl)-3-propylpiperidine
SMILESCCCC1CNCCC1c1sccc1Br
InChIInChI=1S/C12H18BrNS/c1-2-3-9-8-14-6-4-10(9)12-11(13)5-7-15-12/h5,7,9-10,14H,2-4,6,8H2,1H3
InChIKeyQANHAEOICAJVNF-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromothiophen-2-yl)-3-propylpiperidine?
The IUPAC name of 4-(3-bromothiophen-2-yl)-3-propylpiperidine (CID 115381531) is 4-(3-bromothiophen-2-yl)-3-propylpiperidine.
What is the SMILES notation for 4-(3-bromothiophen-2-yl)-3-propylpiperidine?
The canonical SMILES for 4-(3-bromothiophen-2-yl)-3-propylpiperidine is CCCC1CNCCC1c1sccc1Br.
What is the InChIKey of 4-(3-bromothiophen-2-yl)-3-propylpiperidine?
The InChIKey is QANHAEOICAJVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNS/c1-2-3-9-8-14-6-4-10(9)12-11(13)5-7-15-12/h5,7,9-10,14H,2-4,6,8H2,1H3.
What are the key properties of 4-(3-bromothiophen-2-yl)-3-propylpiperidine?
4-(3-bromothiophen-2-yl)-3-propylpiperidine has a molecular weight of 288.25 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromothiophen-2-yl)-3-propylpiperidine is sourced from PubChem (CID 115381531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).