3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]piperidine

C13H15BrClN — CID 11722365

IUPAC3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]piperidine
SMILESClc1ccc(Br)cc1/C=C/C1CCCNC1
InChIInChI=1S/C13H15BrClN/c14-12-5-6-13(15)11(8-12)4-3-10-2-1-7-16-9-10/h3-6,8,10,16H,1-2,7,9H2/b4-3+
InChIKeyPNSCQHPUERUHCO-ONEGZZNKSA-N
MW300.63 g/mol
LogP4.12
Rot. Bonds2

About 3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]piperidine

3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]piperidine (PubChem CID 11722365) has the molecular formula C13H15BrClN and a molecular weight of 300.63 g/mol. Its IUPAC name is 3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]piperidine.

Molecular Properties

Compound Name3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]piperidine
PubChem CID11722365
Molecular FormulaC13H15BrClN
Molecular Weight300.63 g/mol
Exact Mass299.01
IUPAC Name3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]piperidine
SMILESClc1ccc(Br)cc1/C=C/C1CCCNC1
InChIInChI=1S/C13H15BrClN/c14-12-5-6-13(15)11(8-12)4-3-10-2-1-7-16-9-10/h3-6,8,10,16H,1-2,7,9H2/b4-3+
InChIKeyPNSCQHPUERUHCO-ONEGZZNKSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.63
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]piperidine?
The IUPAC name of 3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]piperidine (CID 11722365) is 3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]piperidine.
What is the SMILES notation for 3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]piperidine?
The canonical SMILES for 3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]piperidine is Clc1ccc(Br)cc1/C=C/C1CCCNC1.
What is the InChIKey of 3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]piperidine?
The InChIKey is PNSCQHPUERUHCO-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H15BrClN/c14-12-5-6-13(15)11(8-12)4-3-10-2-1-7-16-9-10/h3-6,8,10,16H,1-2,7,9H2/b4-3+.
What are the key properties of 3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]piperidine?
3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]piperidine has a molecular weight of 300.63 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]piperidine is sourced from PubChem (CID 11722365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).