1-[2-(2-bromo-4-chlorophenoxy)ethyl]-4-ethylpiperazine

C14H20BrClN2O — CID 973313

IUPAC1-[2-(2-bromo-4-chlorophenoxy)ethyl]-4-ethylpiperazine
SMILESCCN1CCN(CCOc2ccc(Cl)cc2Br)CC1
InChIInChI=1S/C14H20BrClN2O/c1-2-17-5-7-18(8-6-17)9-10-19-14-4-3-12(16)11-13(14)15/h3-4,11H,2,5-10H2,1H3
InChIKeyLUYSYFNONKLLFA-UHFFFAOYSA-N
MW347.68 g/mol
LogP3.12
Rot. Bonds5

About 1-[2-(2-bromo-4-chlorophenoxy)ethyl]-4-ethylpiperazine

1-[2-(2-bromo-4-chlorophenoxy)ethyl]-4-ethylpiperazine (PubChem CID 973313) has the molecular formula C14H20BrClN2O and a molecular weight of 347.68 g/mol. Its IUPAC name is 1-[2-(2-bromo-4-chlorophenoxy)ethyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[2-(2-bromo-4-chlorophenoxy)ethyl]-4-ethylpiperazine
PubChem CID973313
Molecular FormulaC14H20BrClN2O
Molecular Weight347.68 g/mol
Exact Mass346.04
IUPAC Name1-[2-(2-bromo-4-chlorophenoxy)ethyl]-4-ethylpiperazine
SMILESCCN1CCN(CCOc2ccc(Cl)cc2Br)CC1
InChIInChI=1S/C14H20BrClN2O/c1-2-17-5-7-18(8-6-17)9-10-19-14-4-3-12(16)11-13(14)15/h3-4,11H,2,5-10H2,1H3
InChIKeyLUYSYFNONKLLFA-UHFFFAOYSA-N
XLogP3.12
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.68
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-bromo-4-chlorophenoxy)ethyl]piperidine
CID 803399
1-[2-(2-bromo-4-chlorophenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119917465
(3R)-1-[2-(2-bromo-4-chlorophenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119905237
1-[2-(2-bromo-4-chlorophenoxy)ethyl]-3-methylpiperazine;hydrochloride
CID 119924404
1-[1-[2-(2-bromo-4-chlorophenoxy)ethyl]azetidin-3-yl]piperazine
CID 66195593
2-[1-[2-(2-bromo-4-chlorophenoxy)ethyl]azetidin-3-yl]propanoic acid
CID 116683883
[7-[2-(2-bromo-4-chlorophenoxy)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol
CID 166226788
1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine
CID 869320
3-amino-1-[2-(2-bromo-4-chlorophenoxy)ethyl]pyrrolidine-3-carboxylic acid
CID 107324481
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine
CID 60644690
[4-[2-(2-bromo-4-chlorophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779623
1-[2-(2,5-dichlorophenoxy)ethyl]-4-methylpiperidine
CID 2364331

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromo-4-chlorophenoxy)ethyl]-4-ethylpiperazine?
The IUPAC name of 1-[2-(2-bromo-4-chlorophenoxy)ethyl]-4-ethylpiperazine (CID 973313) is 1-[2-(2-bromo-4-chlorophenoxy)ethyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[2-(2-bromo-4-chlorophenoxy)ethyl]-4-ethylpiperazine?
The canonical SMILES for 1-[2-(2-bromo-4-chlorophenoxy)ethyl]-4-ethylpiperazine is CCN1CCN(CCOc2ccc(Cl)cc2Br)CC1.
What is the InChIKey of 1-[2-(2-bromo-4-chlorophenoxy)ethyl]-4-ethylpiperazine?
The InChIKey is LUYSYFNONKLLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2O/c1-2-17-5-7-18(8-6-17)9-10-19-14-4-3-12(16)11-13(14)15/h3-4,11H,2,5-10H2,1H3.
What are the key properties of 1-[2-(2-bromo-4-chlorophenoxy)ethyl]-4-ethylpiperazine?
1-[2-(2-bromo-4-chlorophenoxy)ethyl]-4-ethylpiperazine has a molecular weight of 347.68 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromo-4-chlorophenoxy)ethyl]-4-ethylpiperazine is sourced from PubChem (CID 973313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).