4-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]phenol

C18H21BrN2O2 — CID 8691218

IUPAC4-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(CCOc3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C18H21BrN2O2/c19-15-1-7-18(8-2-15)23-14-13-20-9-11-21(12-10-20)16-3-5-17(22)6-4-16/h1-8,22H,9-14H2
InChIKeyHSSWFABNVGABPO-UHFFFAOYSA-N
MW377.28 g/mol
LogP3.36
Rot. Bonds5

About 4-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]phenol

4-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]phenol (PubChem CID 8691218) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is 4-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]phenol
PubChem CID8691218
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC Name4-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(CCOc3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C18H21BrN2O2/c19-15-1-7-18(8-2-15)23-14-13-20-9-11-21(12-10-20)16-3-5-17(22)6-4-16/h1-8,22H,9-14H2
InChIKeyHSSWFABNVGABPO-UHFFFAOYSA-N
XLogP3.36
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]phenyl]ethanone
CID 8591809
1-[2-(4-bromophenoxy)ethyl]-4-[5-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]pentyl]piperazine
CID 56955385
1-[2-(4-bromophenoxy)ethyl]piperidin-4-ol
CID 39423005
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine
CID 60644690
1-(4-bromophenyl)-4-(2-methoxyethyl)piperazine
CID 126963334
2-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]acetic acid
CID 43521824
4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]phenol
CID 8690234
2-[4-(4-bromophenyl)piperazin-1-yl]ethanol
CID 82124353
1-phenyl-4-[2-(4-phenylphenoxy)ethyl]piperazine
CID 94036722
[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methanol
CID 60768272
4-[2-(4-phenylpiperazin-1-yl)ethoxy]aniline
CID 15573951
4-[2-(4-bromophenoxy)ethyl]piperazine-1-carboximidamide
CID 3030046

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]phenol?
The IUPAC name of 4-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]phenol (CID 8691218) is 4-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]phenol is Oc1ccc(N2CCN(CCOc3ccc(Br)cc3)CC2)cc1.
What is the InChIKey of 4-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]phenol?
The InChIKey is HSSWFABNVGABPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c19-15-1-7-18(8-2-15)23-14-13-20-9-11-21(12-10-20)16-3-5-17(22)6-4-16/h1-8,22H,9-14H2.
What are the key properties of 4-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]phenol?
4-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]phenol has a molecular weight of 377.28 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]phenol is sourced from PubChem (CID 8691218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).