1-[3-[4-(2-chlorophenyl)triazol-1-yl]butyl]-4-(2,3-dichlorophenyl)piperazine

C22H24Cl3N5 — CID 142723805

IUPAC1-[3-[4-(2-chlorophenyl)triazol-1-yl]butyl]-4-(2,3-dichlorophenyl)piperazine
SMILESCC(CCN1CCN(c2cccc(Cl)c2Cl)CC1)n1cc(-c2ccccc2Cl)nn1
InChIInChI=1S/C22H24Cl3N5/c1-16(30-15-20(26-27-30)17-5-2-3-6-18(17)23)9-10-28-11-13-29(14-12-28)21-8-4-7-19(24)22(21)25/h2-8,15-16H,9-14H2,1H3
InChIKeyZHDQYZHTOJXPGN-UHFFFAOYSA-N
MW464.83 g/mol
LogP5.68
Rot. Bonds6

About 1-[3-[4-(2-chlorophenyl)triazol-1-yl]butyl]-4-(2,3-dichlorophenyl)piperazine

1-[3-[4-(2-chlorophenyl)triazol-1-yl]butyl]-4-(2,3-dichlorophenyl)piperazine (PubChem CID 142723805) has the molecular formula C22H24Cl3N5 and a molecular weight of 464.83 g/mol. Its IUPAC name is 1-[3-[4-(2-chlorophenyl)triazol-1-yl]butyl]-4-(2,3-dichlorophenyl)piperazine.

Molecular Properties

Compound Name1-[3-[4-(2-chlorophenyl)triazol-1-yl]butyl]-4-(2,3-dichlorophenyl)piperazine
PubChem CID142723805
Molecular FormulaC22H24Cl3N5
Molecular Weight464.83 g/mol
Exact Mass463.11
IUPAC Name1-[3-[4-(2-chlorophenyl)triazol-1-yl]butyl]-4-(2,3-dichlorophenyl)piperazine
SMILESCC(CCN1CCN(c2cccc(Cl)c2Cl)CC1)n1cc(-c2ccccc2Cl)nn1
InChIInChI=1S/C22H24Cl3N5/c1-16(30-15-20(26-27-30)17-5-2-3-6-18(17)23)9-10-28-11-13-29(14-12-28)21-8-4-7-19(24)22(21)25/h2-8,15-16H,9-14H2,1H3
InChIKeyZHDQYZHTOJXPGN-UHFFFAOYSA-N
XLogP5.68
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.83
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-chlorophenyl)piperazin-1-yl]butan-2-amine
CID 60842133
1-butyl-4-(2,3-dichlorophenyl)piperazine
CID 58358826
1-[3-[5-(2-chlorophenyl)triazol-1-yl]butyl]-4-(3,4-dimethylphenyl)piperazine
CID 142723808
1-(2,3-dichlorophenyl)-4-hexylpiperazine
CID 155107965
2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-fluorobutyl]isoindole-1,3-dione
CID 53248155
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide
CID 59671452
2-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-2-enyl]isoindole-1,3-dione
CID 11774742
2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-3-methylideneisoindol-1-one
CID 123755399
7-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]-5-methylheptan-2-amine
CID 144829981
4-[4-(2-chlorophenyl)piperazin-1-yl]butanenitrile
CID 43086163
2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]benzo[de]isoquinoline-1,3-dione;hydrochloride
CID 16752492
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]butan-2-amine
CID 60854667

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-chlorophenyl)triazol-1-yl]butyl]-4-(2,3-dichlorophenyl)piperazine?
The IUPAC name of 1-[3-[4-(2-chlorophenyl)triazol-1-yl]butyl]-4-(2,3-dichlorophenyl)piperazine (CID 142723805) is 1-[3-[4-(2-chlorophenyl)triazol-1-yl]butyl]-4-(2,3-dichlorophenyl)piperazine.
What is the SMILES notation for 1-[3-[4-(2-chlorophenyl)triazol-1-yl]butyl]-4-(2,3-dichlorophenyl)piperazine?
The canonical SMILES for 1-[3-[4-(2-chlorophenyl)triazol-1-yl]butyl]-4-(2,3-dichlorophenyl)piperazine is CC(CCN1CCN(c2cccc(Cl)c2Cl)CC1)n1cc(-c2ccccc2Cl)nn1.
What is the InChIKey of 1-[3-[4-(2-chlorophenyl)triazol-1-yl]butyl]-4-(2,3-dichlorophenyl)piperazine?
The InChIKey is ZHDQYZHTOJXPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl3N5/c1-16(30-15-20(26-27-30)17-5-2-3-6-18(17)23)9-10-28-11-13-29(14-12-28)21-8-4-7-19(24)22(21)25/h2-8,15-16H,9-14H2,1H3.
What are the key properties of 1-[3-[4-(2-chlorophenyl)triazol-1-yl]butyl]-4-(2,3-dichlorophenyl)piperazine?
1-[3-[4-(2-chlorophenyl)triazol-1-yl]butyl]-4-(2,3-dichlorophenyl)piperazine has a molecular weight of 464.83 g/mol, XLogP of 5.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-chlorophenyl)triazol-1-yl]butyl]-4-(2,3-dichlorophenyl)piperazine is sourced from PubChem (CID 142723805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).