1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone

C22H26Cl2N4O — CID 122195196

IUPAC1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(c2ccc(Cl)cc2)CC1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H26Cl2N4O/c23-18-1-5-20(6-2-18)26-11-9-25(10-12-26)17-22(29)28-15-13-27(14-16-28)21-7-3-19(24)4-8-21/h1-8H,9-17H2
InChIKeyUCMVIQKRUDAZSM-UHFFFAOYSA-N
MW433.38 g/mol
LogP3.46
Rot. Bonds4

About 1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone

1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone (PubChem CID 122195196) has the molecular formula C22H26Cl2N4O and a molecular weight of 433.38 g/mol. Its IUPAC name is 1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
PubChem CID122195196
Molecular FormulaC22H26Cl2N4O
Molecular Weight433.38 g/mol
Exact Mass432.15
IUPAC Name1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(c2ccc(Cl)cc2)CC1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H26Cl2N4O/c23-18-1-5-20(6-2-18)26-11-9-25(10-12-26)17-22(29)28-15-13-27(14-16-28)21-7-3-19(24)4-8-21/h1-8H,9-17H2
InChIKeyUCMVIQKRUDAZSM-UHFFFAOYSA-N
XLogP3.46
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.38
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
ethyl 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate
CID 46056192
3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropanenitrile
CID 4692412
4-chloro-1-[4-(4-chlorophenyl)piperazin-1-yl]butan-1-one
CID 4159401
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90561290
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995416
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 90495308
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 861157
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]ethanone
CID 71793810
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 110688043
1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one
CID 90253989
2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]guanidine
CID 110917770

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone (CID 122195196) is 1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone is O=C(CN1CCN(c2ccc(Cl)cc2)CC1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone?
The InChIKey is UCMVIQKRUDAZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N4O/c23-18-1-5-20(6-2-18)26-11-9-25(10-12-26)17-22(29)28-15-13-27(14-16-28)21-7-3-19(24)4-8-21/h1-8H,9-17H2.
What are the key properties of 1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone?
1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone has a molecular weight of 433.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 122195196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).