1-[2-(5-bromo-2-ethoxyphenyl)ethyl]piperazine

C14H21BrN2O — CID 82263455

IUPAC1-[2-(5-bromo-2-ethoxyphenyl)ethyl]piperazine
SMILESCCOc1ccc(Br)cc1CCN1CCNCC1
InChIInChI=1S/C14H21BrN2O/c1-2-18-14-4-3-13(15)11-12(14)5-8-17-9-6-16-7-10-17/h3-4,11,16H,2,5-10H2,1H3
InChIKeyWHWUBBBWSNXVLL-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.30
Rot. Bonds5

About 1-[2-(5-bromo-2-ethoxyphenyl)ethyl]piperazine

1-[2-(5-bromo-2-ethoxyphenyl)ethyl]piperazine (PubChem CID 82263455) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 1-[2-(5-bromo-2-ethoxyphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(5-bromo-2-ethoxyphenyl)ethyl]piperazine
PubChem CID82263455
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name1-[2-(5-bromo-2-ethoxyphenyl)ethyl]piperazine
SMILESCCOc1ccc(Br)cc1CCN1CCNCC1
InChIInChI=1S/C14H21BrN2O/c1-2-18-14-4-3-13(15)11-12(14)5-8-17-9-6-16-7-10-17/h3-4,11,16H,2,5-10H2,1H3
InChIKeyWHWUBBBWSNXVLL-UHFFFAOYSA-N
XLogP2.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-ethoxy-3-propylphenyl)propyl]piperazine
CID 170863848
1-[4-(5-chloro-2-ethoxyphenyl)butyl]piperazine
CID 83933258
1-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]piperazine
CID 94693693
1-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperazine
CID 95472670
1-[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)ethyl]piperazine
CID 82266066
1-[2-(3-tert-butyl-4-ethoxyphenyl)ethyl]piperazine
CID 82263880
1-[2-[2-(cyclobutylmethoxy)-5-methylphenyl]ethyl]piperazine
CID 117466165
1-[(5-bromo-2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 119903802
1-[(2-ethoxy-5-methylphenyl)methyl]piperazine
CID 82263437
1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82083196
5-bromo-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82277470
1-[2-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperazine
CID 82264255

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromo-2-ethoxyphenyl)ethyl]piperazine?
The IUPAC name of 1-[2-(5-bromo-2-ethoxyphenyl)ethyl]piperazine (CID 82263455) is 1-[2-(5-bromo-2-ethoxyphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(5-bromo-2-ethoxyphenyl)ethyl]piperazine?
The canonical SMILES for 1-[2-(5-bromo-2-ethoxyphenyl)ethyl]piperazine is CCOc1ccc(Br)cc1CCN1CCNCC1.
What is the InChIKey of 1-[2-(5-bromo-2-ethoxyphenyl)ethyl]piperazine?
The InChIKey is WHWUBBBWSNXVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-2-18-14-4-3-13(15)11-12(14)5-8-17-9-6-16-7-10-17/h3-4,11,16H,2,5-10H2,1H3.
What are the key properties of 1-[2-(5-bromo-2-ethoxyphenyl)ethyl]piperazine?
1-[2-(5-bromo-2-ethoxyphenyl)ethyl]piperazine has a molecular weight of 313.24 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromo-2-ethoxyphenyl)ethyl]piperazine is sourced from PubChem (CID 82263455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).