1,4-bis[2-(4-chlorophenyl)-2-methoxyethyl]piperazine

C22H28Cl2N2O2 — CID 167921657

IUPAC1,4-bis[2-(4-chlorophenyl)-2-methoxyethyl]piperazine
SMILESCOC(CN1CCN(CC(OC)c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C22H28Cl2N2O2/c1-27-21(17-3-7-19(23)8-4-17)15-25-11-13-26(14-12-25)16-22(28-2)18-5-9-20(24)10-6-18/h3-10,21-22H,11-16H2,1-2H3
InChIKeyJMNNDOZUHFVKPW-UHFFFAOYSA-N
MW423.38 g/mol
LogP4.69
Rot. Bonds8

About 1,4-bis[2-(4-chlorophenyl)-2-methoxyethyl]piperazine

1,4-bis[2-(4-chlorophenyl)-2-methoxyethyl]piperazine (PubChem CID 167921657) has the molecular formula C22H28Cl2N2O2 and a molecular weight of 423.38 g/mol. Its IUPAC name is 1,4-bis[2-(4-chlorophenyl)-2-methoxyethyl]piperazine.

Molecular Properties

Compound Name1,4-bis[2-(4-chlorophenyl)-2-methoxyethyl]piperazine
PubChem CID167921657
Molecular FormulaC22H28Cl2N2O2
Molecular Weight423.38 g/mol
Exact Mass422.15
IUPAC Name1,4-bis[2-(4-chlorophenyl)-2-methoxyethyl]piperazine
SMILESCOC(CN1CCN(CC(OC)c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C22H28Cl2N2O2/c1-27-21(17-3-7-19(23)8-4-17)15-25-11-13-26(14-12-25)16-22(28-2)18-5-9-20(24)10-6-18/h3-10,21-22H,11-16H2,1-2H3
InChIKeyJMNNDOZUHFVKPW-UHFFFAOYSA-N
XLogP4.69
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.38
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-[(2R)-2-methoxy-2-phenylethyl]piperazine
CID 10448132
[1-[2-(4-chlorophenyl)-2-methoxyethyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 23503572
2-(4-chlorophenyl)-2-methoxyethanamine;hydrochloride
CID 54595525
(3R,5R)-1-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-5-(hydroxymethyl)pyrrolidin-3-ol
CID 124734947
1-(2-methoxy-2-phenylethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 171335225
1-[(2-bromophenyl)methyl]-4-(2-methoxy-2-phenylethyl)piperazine
CID 171335226
(1S)-1-(4-chlorophenyl)-2-(4-propylpiperazin-1-yl)ethanol
CID 95299218
3-(4-chlorophenyl)-3-methoxypropanenitrile;iodomethane
CID 126752025
(2S)-1-[bis(4-chlorophenyl)methoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol
CID 7746000
(5S)-3-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 96514716
1-(4-chlorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanol
CID 111118369
1-[2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl]-4-(4-chlorophenyl)sulfonylpiperazine
CID 46098950

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[2-(4-chlorophenyl)-2-methoxyethyl]piperazine?
The IUPAC name of 1,4-bis[2-(4-chlorophenyl)-2-methoxyethyl]piperazine (CID 167921657) is 1,4-bis[2-(4-chlorophenyl)-2-methoxyethyl]piperazine.
What is the SMILES notation for 1,4-bis[2-(4-chlorophenyl)-2-methoxyethyl]piperazine?
The canonical SMILES for 1,4-bis[2-(4-chlorophenyl)-2-methoxyethyl]piperazine is COC(CN1CCN(CC(OC)c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1,4-bis[2-(4-chlorophenyl)-2-methoxyethyl]piperazine?
The InChIKey is JMNNDOZUHFVKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28Cl2N2O2/c1-27-21(17-3-7-19(23)8-4-17)15-25-11-13-26(14-12-25)16-22(28-2)18-5-9-20(24)10-6-18/h3-10,21-22H,11-16H2,1-2H3.
What are the key properties of 1,4-bis[2-(4-chlorophenyl)-2-methoxyethyl]piperazine?
1,4-bis[2-(4-chlorophenyl)-2-methoxyethyl]piperazine has a molecular weight of 423.38 g/mol, XLogP of 4.69, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[2-(4-chlorophenyl)-2-methoxyethyl]piperazine is sourced from PubChem (CID 167921657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).