4-(3-bromothiophen-2-yl)-3-(2-chlorophenyl)piperidine

C15H15BrClNS — CID 115381544

IUPAC4-(3-bromothiophen-2-yl)-3-(2-chlorophenyl)piperidine
SMILESClc1ccccc1C1CNCCC1c1sccc1Br
InChIInChI=1S/C15H15BrClNS/c16-13-6-8-19-15(13)11-5-7-18-9-12(11)10-3-1-2-4-14(10)17/h1-4,6,8,11-12,18H,5,7,9H2
InChIKeyWKAXYRUAFYIKPI-UHFFFAOYSA-N
MW356.72 g/mol
LogP5.02
Rot. Bonds2

About 4-(3-bromothiophen-2-yl)-3-(2-chlorophenyl)piperidine

4-(3-bromothiophen-2-yl)-3-(2-chlorophenyl)piperidine (PubChem CID 115381544) has the molecular formula C15H15BrClNS and a molecular weight of 356.72 g/mol. Its IUPAC name is 4-(3-bromothiophen-2-yl)-3-(2-chlorophenyl)piperidine.

Molecular Properties

Compound Name4-(3-bromothiophen-2-yl)-3-(2-chlorophenyl)piperidine
PubChem CID115381544
Molecular FormulaC15H15BrClNS
Molecular Weight356.72 g/mol
Exact Mass354.98
IUPAC Name4-(3-bromothiophen-2-yl)-3-(2-chlorophenyl)piperidine
SMILESClc1ccccc1C1CNCCC1c1sccc1Br
InChIInChI=1S/C15H15BrClNS/c16-13-6-8-19-15(13)11-5-7-18-9-12(11)10-3-1-2-4-14(10)17/h1-4,6,8,11-12,18H,5,7,9H2
InChIKeyWKAXYRUAFYIKPI-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.72
LogP ≤ 55.02
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-(2-chlorophenyl)piperidine?
The IUPAC name of 4-(3-bromothiophen-2-yl)-3-(2-chlorophenyl)piperidine (CID 115381544) is 4-(3-bromothiophen-2-yl)-3-(2-chlorophenyl)piperidine.
What is the SMILES notation for 4-(3-bromothiophen-2-yl)-3-(2-chlorophenyl)piperidine?
The canonical SMILES for 4-(3-bromothiophen-2-yl)-3-(2-chlorophenyl)piperidine is Clc1ccccc1C1CNCCC1c1sccc1Br.
What is the InChIKey of 4-(3-bromothiophen-2-yl)-3-(2-chlorophenyl)piperidine?
The InChIKey is WKAXYRUAFYIKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNS/c16-13-6-8-19-15(13)11-5-7-18-9-12(11)10-3-1-2-4-14(10)17/h1-4,6,8,11-12,18H,5,7,9H2.
What are the key properties of 4-(3-bromothiophen-2-yl)-3-(2-chlorophenyl)piperidine?
4-(3-bromothiophen-2-yl)-3-(2-chlorophenyl)piperidine has a molecular weight of 356.72 g/mol, XLogP of 5.02, 2 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-(2-chlorophenyl)piperidine is sourced from PubChem (CID 115381544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).