2-(5-bromo-2-ethoxyphenyl)piperidine;hydrochloride

C13H19BrClNO — CID 17389942

IUPAC2-(5-bromo-2-ethoxyphenyl)piperidine;hydrochloride
SMILESCCOc1ccc(Br)cc1C1CCCCN1.Cl
InChIInChI=1S/C13H18BrNO.ClH/c1-2-16-13-7-6-10(14)9-11(13)12-5-3-4-8-15-12;/h6-7,9,12,15H,2-5,8H2,1H3;1H
InChIKeyKUCREIOFSANWIV-UHFFFAOYSA-N
MW320.66 g/mol
LogP4.08
Rot. Bonds3

About 2-(5-bromo-2-ethoxyphenyl)piperidine;hydrochloride

2-(5-bromo-2-ethoxyphenyl)piperidine;hydrochloride (PubChem CID 17389942) has the molecular formula C13H19BrClNO and a molecular weight of 320.66 g/mol. Its IUPAC name is 2-(5-bromo-2-ethoxyphenyl)piperidine;hydrochloride.

Molecular Properties

Compound Name2-(5-bromo-2-ethoxyphenyl)piperidine;hydrochloride
PubChem CID17389942
Molecular FormulaC13H19BrClNO
Molecular Weight320.66 g/mol
Exact Mass319.03
IUPAC Name2-(5-bromo-2-ethoxyphenyl)piperidine;hydrochloride
SMILESCCOc1ccc(Br)cc1C1CCCCN1.Cl
InChIInChI=1S/C13H18BrNO.ClH/c1-2-16-13-7-6-10(14)9-11(13)12-5-3-4-8-15-12;/h6-7,9,12,15H,2-5,8H2,1H3;1H
InChIKeyKUCREIOFSANWIV-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.66
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-ethoxyphenyl)piperidine;hydrochloride?
The IUPAC name of 2-(5-bromo-2-ethoxyphenyl)piperidine;hydrochloride (CID 17389942) is 2-(5-bromo-2-ethoxyphenyl)piperidine;hydrochloride.
What is the SMILES notation for 2-(5-bromo-2-ethoxyphenyl)piperidine;hydrochloride?
The canonical SMILES for 2-(5-bromo-2-ethoxyphenyl)piperidine;hydrochloride is CCOc1ccc(Br)cc1C1CCCCN1.Cl.
What is the InChIKey of 2-(5-bromo-2-ethoxyphenyl)piperidine;hydrochloride?
The InChIKey is KUCREIOFSANWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO.ClH/c1-2-16-13-7-6-10(14)9-11(13)12-5-3-4-8-15-12;/h6-7,9,12,15H,2-5,8H2,1H3;1H.
What are the key properties of 2-(5-bromo-2-ethoxyphenyl)piperidine;hydrochloride?
2-(5-bromo-2-ethoxyphenyl)piperidine;hydrochloride has a molecular weight of 320.66 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-ethoxyphenyl)piperidine;hydrochloride is sourced from PubChem (CID 17389942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).