1-[4-benzyl-2-(2,4-dichlorophenoxy)piperazin-1-yl]-2-methylpropan-1-one

C21H24Cl2N2O2 — CID 22376328

IUPAC1-[4-benzyl-2-(2,4-dichlorophenoxy)piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(Cc2ccccc2)CC1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H24Cl2N2O2/c1-15(2)21(26)25-11-10-24(13-16-6-4-3-5-7-16)14-20(25)27-19-9-8-17(22)12-18(19)23/h3-9,12,15,20H,10-11,13-14H2,1-2H3
InChIKeyVKSZWSFPIKZGJQ-UHFFFAOYSA-N
MW407.34 g/mol
LogP4.70
Rot. Bonds5

About 1-[4-benzyl-2-(2,4-dichlorophenoxy)piperazin-1-yl]-2-methylpropan-1-one

1-[4-benzyl-2-(2,4-dichlorophenoxy)piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 22376328) has the molecular formula C21H24Cl2N2O2 and a molecular weight of 407.34 g/mol. Its IUPAC name is 1-[4-benzyl-2-(2,4-dichlorophenoxy)piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-benzyl-2-(2,4-dichlorophenoxy)piperazin-1-yl]-2-methylpropan-1-one
PubChem CID22376328
Molecular FormulaC21H24Cl2N2O2
Molecular Weight407.34 g/mol
Exact Mass406.12
IUPAC Name1-[4-benzyl-2-(2,4-dichlorophenoxy)piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(Cc2ccccc2)CC1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H24Cl2N2O2/c1-15(2)21(26)25-11-10-24(13-16-6-4-3-5-7-16)14-20(25)27-19-9-8-17(22)12-18(19)23/h3-9,12,15,20H,10-11,13-14H2,1-2H3
InChIKeyVKSZWSFPIKZGJQ-UHFFFAOYSA-N
XLogP4.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.34
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-benzyl-N-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
CID 125020372
1-(4-benzylpiperazin-1-yl)-2-(2,4-dichlorophenoxy)ethanone
CID 1187384
(2S)-4-benzyl-2-[(R)-(2,4-dichlorophenoxy)-phenylmethyl]morpholine
CID 68597691
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetamide
CID 9137299
(2S)-4-benzyl-2-(2-hydroxypropyl)piperazine-1-carboxylic acid
CID 71268527
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 55475153
1-[4-[(5-chloro-2-hydroxyphenyl)methyl]-2-methylpiperazin-1-yl]-2-phenylethanone
CID 77185796
[(2S)-4-benzyl-1-methylpiperazin-2-yl] acetate
CID 66769581
tert-butyl (2S)-4-benzyl-2-propan-2-ylpiperazine-1-carboxylate
CID 97290469
1-[(3R)-1-benzylpyrrolidin-3-yl]-2-methylpropan-1-one
CID 59669005
(2S)-4-benzyl-2-ethylpiperazine-1-carboxylic acid
CID 67131699
1-benzyl-3-(2,4-dichlorophenyl)pyrrolidine
CID 173052074

Frequently Asked Questions

What is the IUPAC name of 1-[4-benzyl-2-(2,4-dichlorophenoxy)piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-benzyl-2-(2,4-dichlorophenoxy)piperazin-1-yl]-2-methylpropan-1-one (CID 22376328) is 1-[4-benzyl-2-(2,4-dichlorophenoxy)piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-benzyl-2-(2,4-dichlorophenoxy)piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-benzyl-2-(2,4-dichlorophenoxy)piperazin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCN(Cc2ccccc2)CC1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[4-benzyl-2-(2,4-dichlorophenoxy)piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is VKSZWSFPIKZGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O2/c1-15(2)21(26)25-11-10-24(13-16-6-4-3-5-7-16)14-20(25)27-19-9-8-17(22)12-18(19)23/h3-9,12,15,20H,10-11,13-14H2,1-2H3.
What are the key properties of 1-[4-benzyl-2-(2,4-dichlorophenoxy)piperazin-1-yl]-2-methylpropan-1-one?
1-[4-benzyl-2-(2,4-dichlorophenoxy)piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 407.34 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-benzyl-2-(2,4-dichlorophenoxy)piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 22376328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).