2-(4-chlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride

C17H19Cl2N3O2 — CID 120731259

IUPAC2-(4-chlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
SMILESCl.O=C(COc1ccc(Cl)cc1)N1CCNCC1c1cccnc1
InChIInChI=1S/C17H18ClN3O2.ClH/c18-14-3-5-15(6-4-14)23-12-17(22)21-9-8-20-11-16(21)13-2-1-7-19-10-13;/h1-7,10,16,20H,8-9,11-12H2;1H
InChIKeyGRBWXQCZJJDCIS-UHFFFAOYSA-N
MW368.26 g/mol
LogP2.71
Rot. Bonds4

About 2-(4-chlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride

2-(4-chlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride (PubChem CID 120731259) has the molecular formula C17H19Cl2N3O2 and a molecular weight of 368.26 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
PubChem CID120731259
Molecular FormulaC17H19Cl2N3O2
Molecular Weight368.26 g/mol
Exact Mass367.09
IUPAC Name2-(4-chlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
SMILESCl.O=C(COc1ccc(Cl)cc1)N1CCNCC1c1cccnc1
InChIInChI=1S/C17H18ClN3O2.ClH/c18-14-3-5-15(6-4-14)23-12-17(22)21-9-8-20-11-16(21)13-2-1-7-19-10-13;/h1-7,10,16,20H,8-9,11-12H2;1H
InChIKeyGRBWXQCZJJDCIS-UHFFFAOYSA-N
XLogP2.71
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120732560
3-(4-chlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120730564
2-(4-ethoxyphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120732198
3-(4-chlorophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120732059
2-(4-chlorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120737113
2-(3-fluoro-4-nitrophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120730484
2-(5-chloroquinolin-8-yl)oxy-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 120730839
2-phenoxy-1-(2-phenylpiperazin-1-yl)ethanone
CID 82251696
2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide
CID 120729201
4-(2,4-dichlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120732685
2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731250
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone
CID 120803535

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-(4-chlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride (CID 120731259) is 2-(4-chlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride is Cl.O=C(COc1ccc(Cl)cc1)N1CCNCC1c1cccnc1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride?
The InChIKey is GRBWXQCZJJDCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2.ClH/c18-14-3-5-15(6-4-14)23-12-17(22)21-9-8-20-11-16(21)13-2-1-7-19-10-13;/h1-7,10,16,20H,8-9,11-12H2;1H.
What are the key properties of 2-(4-chlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride?
2-(4-chlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride has a molecular weight of 368.26 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 120731259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).