chloro hypochlorite;1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol

C22H26Cl4N2O2 — CID 159444729

IUPACchloro hypochlorite;1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol
SMILESClOCl.OC1(C(CN2CCNCC2)c2cccc(-c3ccc(Cl)c(Cl)c3)c2)CCC1
InChIInChI=1S/C22H26Cl2N2O.Cl2O/c23-20-6-5-17(14-21(20)24)16-3-1-4-18(13-16)19(22(27)7-2-8-22)15-26-11-9-25-10-12-26;1-3-2/h1,3-6,13-14,19,25,27H,2,7-12,15H2;
InChIKeyLSPUEPDOTDNGKP-UHFFFAOYSA-N
MW492.27 g/mol
LogP5.87
Rot. Bonds5

About chloro hypochlorite;1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol

chloro hypochlorite;1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol (PubChem CID 159444729) has the molecular formula C22H26Cl4N2O2 and a molecular weight of 492.27 g/mol. Its IUPAC name is chloro hypochlorite;1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol.

Molecular Properties

Compound Namechloro hypochlorite;1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol
PubChem CID159444729
Molecular FormulaC22H26Cl4N2O2
Molecular Weight492.27 g/mol
Exact Mass490.07
IUPAC Namechloro hypochlorite;1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol
SMILESClOCl.OC1(C(CN2CCNCC2)c2cccc(-c3ccc(Cl)c(Cl)c3)c2)CCC1
InChIInChI=1S/C22H26Cl2N2O.Cl2O/c23-20-6-5-17(14-21(20)24)16-3-1-4-18(13-16)19(22(27)7-2-8-22)15-26-11-9-25-10-12-26;1-3-2/h1,3-6,13-14,19,25,27H,2,7-12,15H2;
InChIKeyLSPUEPDOTDNGKP-UHFFFAOYSA-N
XLogP5.87
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.27
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of chloro hypochlorite;1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol?
The IUPAC name of chloro hypochlorite;1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol (CID 159444729) is chloro hypochlorite;1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol.
What is the SMILES notation for chloro hypochlorite;1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol?
The canonical SMILES for chloro hypochlorite;1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol is ClOCl.OC1(C(CN2CCNCC2)c2cccc(-c3ccc(Cl)c(Cl)c3)c2)CCC1.
What is the InChIKey of chloro hypochlorite;1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol?
The InChIKey is LSPUEPDOTDNGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O.Cl2O/c23-20-6-5-17(14-21(20)24)16-3-1-4-18(13-16)19(22(27)7-2-8-22)15-26-11-9-25-10-12-26;1-3-2/h1,3-6,13-14,19,25,27H,2,7-12,15H2;.
What are the key properties of chloro hypochlorite;1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol?
chloro hypochlorite;1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol has a molecular weight of 492.27 g/mol, XLogP of 5.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro hypochlorite;1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol is sourced from PubChem (CID 159444729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).