3-[2-(5-bromo-2-chlorophenyl)ethyl]piperidine;hydrochloride

C13H18BrCl2N — CID 45264334

IUPAC3-[2-(5-bromo-2-chlorophenyl)ethyl]piperidine;hydrochloride
SMILESCl.Clc1ccc(Br)cc1CCC1CCCNC1
InChIInChI=1S/C13H17BrClN.ClH/c14-12-5-6-13(15)11(8-12)4-3-10-2-1-7-16-9-10;/h5-6,8,10,16H,1-4,7,9H2;1H
InChIKeyQHNZQXSFEDKYGX-UHFFFAOYSA-N
MW339.10 g/mol
LogP4.46
Rot. Bonds3

About 3-[2-(5-bromo-2-chlorophenyl)ethyl]piperidine;hydrochloride

3-[2-(5-bromo-2-chlorophenyl)ethyl]piperidine;hydrochloride (PubChem CID 45264334) has the molecular formula C13H18BrCl2N and a molecular weight of 339.10 g/mol. Its IUPAC name is 3-[2-(5-bromo-2-chlorophenyl)ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name3-[2-(5-bromo-2-chlorophenyl)ethyl]piperidine;hydrochloride
PubChem CID45264334
Molecular FormulaC13H18BrCl2N
Molecular Weight339.10 g/mol
Exact Mass337.00
IUPAC Name3-[2-(5-bromo-2-chlorophenyl)ethyl]piperidine;hydrochloride
SMILESCl.Clc1ccc(Br)cc1CCC1CCCNC1
InChIInChI=1S/C13H17BrClN.ClH/c14-12-5-6-13(15)11(8-12)4-3-10-2-1-7-16-9-10;/h5-6,8,10,16H,1-4,7,9H2;1H
InChIKeyQHNZQXSFEDKYGX-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.10
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-bromo-2-chlorophenyl)ethyl]piperidine;hydrochloride?
The IUPAC name of 3-[2-(5-bromo-2-chlorophenyl)ethyl]piperidine;hydrochloride (CID 45264334) is 3-[2-(5-bromo-2-chlorophenyl)ethyl]piperidine;hydrochloride.
What is the SMILES notation for 3-[2-(5-bromo-2-chlorophenyl)ethyl]piperidine;hydrochloride?
The canonical SMILES for 3-[2-(5-bromo-2-chlorophenyl)ethyl]piperidine;hydrochloride is Cl.Clc1ccc(Br)cc1CCC1CCCNC1.
What is the InChIKey of 3-[2-(5-bromo-2-chlorophenyl)ethyl]piperidine;hydrochloride?
The InChIKey is QHNZQXSFEDKYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClN.ClH/c14-12-5-6-13(15)11(8-12)4-3-10-2-1-7-16-9-10;/h5-6,8,10,16H,1-4,7,9H2;1H.
What are the key properties of 3-[2-(5-bromo-2-chlorophenyl)ethyl]piperidine;hydrochloride?
3-[2-(5-bromo-2-chlorophenyl)ethyl]piperidine;hydrochloride has a molecular weight of 339.10 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-bromo-2-chlorophenyl)ethyl]piperidine;hydrochloride is sourced from PubChem (CID 45264334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).