1-(4-benzylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)ethanone

C19H20Cl2N2O2 — CID 22264923

IUPAC1-(4-benzylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)ethanone
SMILESO=C(COc1cc(Cl)cc(Cl)c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H20Cl2N2O2/c20-16-10-17(21)12-18(11-16)25-14-19(24)23-8-6-22(7-9-23)13-15-4-2-1-3-5-15/h1-5,10-12H,6-9,13-14H2
InChIKeyFCFDCVFKSTUOIT-UHFFFAOYSA-N
MW379.29 g/mol
LogP3.72
Rot. Bonds5

About 1-(4-benzylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)ethanone

1-(4-benzylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)ethanone (PubChem CID 22264923) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)ethanone
PubChem CID22264923
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)ethanone
SMILESO=C(COc1cc(Cl)cc(Cl)c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H20Cl2N2O2/c20-16-10-17(21)12-18(11-16)25-14-19(24)23-8-6-22(7-9-23)13-15-4-2-1-3-5-15/h1-5,10-12H,6-9,13-14H2
InChIKeyFCFDCVFKSTUOIT-UHFFFAOYSA-N
XLogP3.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzylpiperazin-1-yl)-2-(3,5-dimethoxyphenoxy)ethanone
CID 22264488
1-(4-benzylpiperazin-1-yl)-2-(4-chloro-3-methylphenoxy)ethanone
CID 17174686
1-(4-benzylpiperazin-1-yl)-2-(2,4-dichlorophenoxy)ethanone
CID 1187384
1-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-2-(4-chlorophenoxy)ethanone;oxalic acid
CID 90483833
2-phenoxy-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 2878469
1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone;oxalic acid
CID 163329557
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone
CID 780106
2-(4-chlorophenoxy)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone;oxalic acid
CID 17366047
1-(4-benzylpiperazin-1-yl)-2-(3-pentoxyphenoxy)ethanone
CID 4733260
1-[2-(3,5-dichlorophenoxy)acetyl]piperidin-4-one
CID 39425847
2-[4-[2-(3-chlorophenoxy)acetyl]piperazin-1-yl]acetic acid
CID 43521222
1-(4-benzylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone
CID 2476156

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)ethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)ethanone (CID 22264923) is 1-(4-benzylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)ethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)ethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)ethanone is O=C(COc1cc(Cl)cc(Cl)c1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)ethanone?
The InChIKey is FCFDCVFKSTUOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c20-16-10-17(21)12-18(11-16)25-14-19(24)23-8-6-22(7-9-23)13-15-4-2-1-3-5-15/h1-5,10-12H,6-9,13-14H2.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)ethanone?
1-(4-benzylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)ethanone has a molecular weight of 379.29 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)ethanone is sourced from PubChem (CID 22264923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).