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

C18H20ClFN2O — CID 3668416

IUPAC1-(3-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
SMILESOC(CN1CCN(c2ccc(F)cc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C18H20ClFN2O/c19-15-3-1-2-14(12-15)18(23)13-21-8-10-22(11-9-21)17-6-4-16(20)5-7-17/h1-7,12,18,23H,8-11,13H2
InChIKeyIZMMSZULGXNEDG-UHFFFAOYSA-N
MW334.82 g/mol
LogP3.33
Rot. Bonds4

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

1-(3-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol (PubChem CID 3668416) has the molecular formula C18H20ClFN2O and a molecular weight of 334.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
PubChem CID3668416
Molecular FormulaC18H20ClFN2O
Molecular Weight334.82 g/mol
Exact Mass334.12
IUPAC Name1-(3-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
SMILESOC(CN1CCN(c2ccc(F)cc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C18H20ClFN2O/c19-15-3-1-2-14(12-15)18(23)13-21-8-10-22(11-9-21)17-6-4-16(20)5-7-17/h1-7,12,18,23H,8-11,13H2
InChIKeyIZMMSZULGXNEDG-UHFFFAOYSA-N
XLogP3.33
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.82
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol
CID 110883491
1-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanol
CID 2767002
(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
CID 51588955
1-(3-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol
CID 5183030
1-(2,2-diphenylethyl)-4-(4-fluorophenyl)piperazine
CID 1376189
(1S)-1-(3-chlorophenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanol
CID 92764459
1-(3-chlorophenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol
CID 3809523
1-(3-chlorophenyl)-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 111476797
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanol
CID 53180160
2-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol
CID 3044996
2-[1-(3-chlorophenyl)ethylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 112769455
4-[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol
CID 110884687

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol (CID 3668416) is 1-(3-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol is OC(CN1CCN(c2ccc(F)cc2)CC1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol?
The InChIKey is IZMMSZULGXNEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O/c19-15-3-1-2-14(12-15)18(23)13-21-8-10-22(11-9-21)17-6-4-16(20)5-7-17/h1-7,12,18,23H,8-11,13H2.
What are the key properties of 1-(3-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol?
1-(3-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol has a molecular weight of 334.82 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 3668416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).