1-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanol

C18H20BrClN2O — CID 2767002

IUPAC1-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanol
SMILESOC(CN1CCN(c2cccc(Cl)c2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C18H20BrClN2O/c19-15-6-4-14(5-7-15)18(23)13-21-8-10-22(11-9-21)17-3-1-2-16(20)12-17/h1-7,12,18,23H,8-11,13H2
InChIKeyFBLXGXZXGWUZBO-UHFFFAOYSA-N
MW395.73 g/mol
LogP3.96
Rot. Bonds4

About 1-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanol

1-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanol (PubChem CID 2767002) has the molecular formula C18H20BrClN2O and a molecular weight of 395.73 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanol
PubChem CID2767002
Molecular FormulaC18H20BrClN2O
Molecular Weight395.73 g/mol
Exact Mass394.04
IUPAC Name1-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanol
SMILESOC(CN1CCN(c2cccc(Cl)c2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C18H20BrClN2O/c19-15-6-4-14(5-7-15)18(23)13-21-8-10-22(11-9-21)17-3-1-2-16(20)12-17/h1-7,12,18,23H,8-11,13H2
InChIKeyFBLXGXZXGWUZBO-UHFFFAOYSA-N
XLogP3.96
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.73
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanol
CID 7036655
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanol
CID 53180160
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 39357220
3-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenol
CID 110880205
3-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol
CID 110883491
1-(3-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
CID 3668416
1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]-2-(methylamino)ethanol
CID 83971882
1-(4-bromophenyl)-2-pyrrolidin-1-ylethanol
CID 66874094
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidine-2,5-dione
CID 10247408
(2S)-1-[4-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol
CID 95610546
(1S)-2-(4-benzhydrylpiperazin-1-yl)-1-(4-bromophenyl)ethanol
CID 28746869
4-[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol
CID 110884687

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanol?
The IUPAC name of 1-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanol (CID 2767002) is 1-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 1-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanol?
The canonical SMILES for 1-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanol is OC(CN1CCN(c2cccc(Cl)c2)CC1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanol?
The InChIKey is FBLXGXZXGWUZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrClN2O/c19-15-6-4-14(5-7-15)18(23)13-21-8-10-22(11-9-21)17-3-1-2-16(20)12-17/h1-7,12,18,23H,8-11,13H2.
What are the key properties of 1-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanol?
1-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanol has a molecular weight of 395.73 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 2767002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).