2-(4-chlorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride

C18H19Cl2FN2O2 — CID 120737113

IUPAC2-(4-chlorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCl.O=C(COc1ccc(Cl)cc1)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C18H18ClFN2O2.ClH/c19-14-4-6-16(7-5-14)24-12-18(23)22-9-8-21-11-17(22)13-2-1-3-15(20)10-13;/h1-7,10,17,21H,8-9,11-12H2;1H
InChIKeyYTEZMLCJERTRSQ-UHFFFAOYSA-N
MW385.27 g/mol
LogP3.45
Rot. Bonds4

About 2-(4-chlorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride

2-(4-chlorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride (PubChem CID 120737113) has the molecular formula C18H19Cl2FN2O2 and a molecular weight of 385.27 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
PubChem CID120737113
Molecular FormulaC18H19Cl2FN2O2
Molecular Weight385.27 g/mol
Exact Mass384.08
IUPAC Name2-(4-chlorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCl.O=C(COc1ccc(Cl)cc1)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C18H18ClFN2O2.ClH/c19-14-4-6-16(7-5-14)24-12-18(23)22-9-8-21-11-17(22)13-2-1-3-15(20)10-13;/h1-7,10,17,21H,8-9,11-12H2;1H
InChIKeyYTEZMLCJERTRSQ-UHFFFAOYSA-N
XLogP3.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736085
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 120736388
2-(4-ethoxyphenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120737774
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone
CID 120803535
2-(4-chlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120731259
2-phenoxy-1-(2-phenylpiperazin-1-yl)ethanone
CID 82251696
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3-fluorophenoxy)ethanone;hydrochloride
CID 120739679
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 120737106
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)ethanone;hydrochloride
CID 120802601
ethyl 2-[4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]phenoxy]acetate;hydrochloride
CID 120768431
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 120737654
2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120736006

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(4-chlorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride (CID 120737113) is 2-(4-chlorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride is Cl.O=C(COc1ccc(Cl)cc1)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is YTEZMLCJERTRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2.ClH/c19-14-4-6-16(7-5-14)24-12-18(23)22-9-8-21-11-17(22)13-2-1-3-15(20)10-13;/h1-7,10,17,21H,8-9,11-12H2;1H.
What are the key properties of 2-(4-chlorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride?
2-(4-chlorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 385.27 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 120737113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).