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

C13H18BrNO — CID 17389943

IUPAC2-(5-bromo-2-ethoxyphenyl)piperidine
SMILESCCOc1ccc(Br)cc1C1CCCCN1
InChIInChI=1S/C13H18BrNO/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
InChIKeyGBHXWRIXBNBGGJ-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.66
Rot. Bonds3

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

2-(5-bromo-2-ethoxyphenyl)piperidine (PubChem CID 17389943) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-(5-bromo-2-ethoxyphenyl)piperidine.

Molecular Properties

Compound Name2-(5-bromo-2-ethoxyphenyl)piperidine
PubChem CID17389943
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name2-(5-bromo-2-ethoxyphenyl)piperidine
SMILESCCOc1ccc(Br)cc1C1CCCCN1
InChIInChI=1S/C13H18BrNO/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
InChIKeyGBHXWRIXBNBGGJ-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.66
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?
The IUPAC name of 2-(5-bromo-2-ethoxyphenyl)piperidine (CID 17389943) is 2-(5-bromo-2-ethoxyphenyl)piperidine.
What is the SMILES notation for 2-(5-bromo-2-ethoxyphenyl)piperidine?
The canonical SMILES for 2-(5-bromo-2-ethoxyphenyl)piperidine is CCOc1ccc(Br)cc1C1CCCCN1.
What is the InChIKey of 2-(5-bromo-2-ethoxyphenyl)piperidine?
The InChIKey is GBHXWRIXBNBGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/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.
What are the key properties of 2-(5-bromo-2-ethoxyphenyl)piperidine?
2-(5-bromo-2-ethoxyphenyl)piperidine has a molecular weight of 284.20 g/mol, XLogP of 3.66, 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 is sourced from PubChem (CID 17389943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).