1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine

C14H21BrN2O — CID 60644690

IUPAC1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine
SMILESCCN1CCN(CCOc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H21BrN2O/c1-2-16-7-9-17(10-8-16)11-12-18-14-5-3-13(15)4-6-14/h3-6H,2,7-12H2,1H3
InChIKeyJMFWUNDKHQUVTE-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.47
Rot. Bonds5

About 1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine

1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine (PubChem CID 60644690) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine
PubChem CID60644690
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine
SMILESCCN1CCN(CCOc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H21BrN2O/c1-2-16-7-9-17(10-8-16)11-12-18-14-5-3-13(15)4-6-14/h3-6H,2,7-12H2,1H3
InChIKeyJMFWUNDKHQUVTE-UHFFFAOYSA-N
XLogP2.47
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-bromophenoxy)ethyl]-4-[5-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]pentyl]piperazine
CID 56955385
1-ethyl-4-[2-(4-iodophenoxy)ethyl]piperazine
CID 1300408
1-ethyl-4-[2-(4-fluorophenoxy)ethyl]piperazine
CID 1301156
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperidine
CID 63456489
1-[2-(4-bromophenoxy)ethyl]-4-ethoxypiperidine
CID 61224076
1-[4-(4-bromophenoxy)butyl]-4-methylpiperazine
CID 2267460
2-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]acetic acid
CID 43521824
1-[2-(4-bromophenoxy)ethyl]piperidin-4-ol
CID 39423005
4-[2-(4-bromophenoxy)ethyl]-1-methylpiperazin-2-one
CID 64694771
4-[2-(4-bromophenoxy)ethyl]piperazine-1-carboximidamide
CID 3030046
1-ethyl-4-[3-(4-methylphenoxy)propyl]piperazine
CID 170591311
4-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]phenol
CID 8691218

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine?
The IUPAC name of 1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine (CID 60644690) is 1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine?
The canonical SMILES for 1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine is CCN1CCN(CCOc2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine?
The InChIKey is JMFWUNDKHQUVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-2-16-7-9-17(10-8-16)11-12-18-14-5-3-13(15)4-6-14/h3-6H,2,7-12H2,1H3.
What are the key properties of 1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine?
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine has a molecular weight of 313.24 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine is sourced from PubChem (CID 60644690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).