1-[3-[(3,5-dichlorophenyl)methoxy]-3,4-dihydro-2H-chromen-4-yl]piperazine;dihydrochloride

C20H24Cl4N2O2 — CID 68921068

IUPAC1-[3-[(3,5-dichlorophenyl)methoxy]-3,4-dihydro-2H-chromen-4-yl]piperazine;dihydrochloride
SMILESCl.Cl.Clc1cc(Cl)cc(COC2COc3ccccc3C2N2CCNCC2)c1
InChIInChI=1S/C20H22Cl2N2O2.2ClH/c21-15-9-14(10-16(22)11-15)12-25-19-13-26-18-4-2-1-3-17(18)20(19)24-7-5-23-6-8-24;;/h1-4,9-11,19-20,23H,5-8,12-13H2;2*1H
InChIKeyLIDALQSBXTXDEB-UHFFFAOYSA-N
MW466.24 g/mol
LogP4.76
Rot. Bonds4

About 1-[3-[(3,5-dichlorophenyl)methoxy]-3,4-dihydro-2H-chromen-4-yl]piperazine;dihydrochloride

1-[3-[(3,5-dichlorophenyl)methoxy]-3,4-dihydro-2H-chromen-4-yl]piperazine;dihydrochloride (PubChem CID 68921068) has the molecular formula C20H24Cl4N2O2 and a molecular weight of 466.24 g/mol. Its IUPAC name is 1-[3-[(3,5-dichlorophenyl)methoxy]-3,4-dihydro-2H-chromen-4-yl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[3-[(3,5-dichlorophenyl)methoxy]-3,4-dihydro-2H-chromen-4-yl]piperazine;dihydrochloride
PubChem CID68921068
Molecular FormulaC20H24Cl4N2O2
Molecular Weight466.24 g/mol
Exact Mass464.06
IUPAC Name1-[3-[(3,5-dichlorophenyl)methoxy]-3,4-dihydro-2H-chromen-4-yl]piperazine;dihydrochloride
SMILESCl.Cl.Clc1cc(Cl)cc(COC2COc3ccccc3C2N2CCNCC2)c1
InChIInChI=1S/C20H22Cl2N2O2.2ClH/c21-15-9-14(10-16(22)11-15)12-25-19-13-26-18-4-2-1-3-17(18)20(19)24-7-5-23-6-8-24;;/h1-4,9-11,19-20,23H,5-8,12-13H2;2*1H
InChIKeyLIDALQSBXTXDEB-UHFFFAOYSA-N
XLogP4.76
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.24
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3,5-dichlorophenyl)methoxy]-3,4-dihydro-2H-chromen-4-yl]piperazine;dihydrochloride?
The IUPAC name of 1-[3-[(3,5-dichlorophenyl)methoxy]-3,4-dihydro-2H-chromen-4-yl]piperazine;dihydrochloride (CID 68921068) is 1-[3-[(3,5-dichlorophenyl)methoxy]-3,4-dihydro-2H-chromen-4-yl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[3-[(3,5-dichlorophenyl)methoxy]-3,4-dihydro-2H-chromen-4-yl]piperazine;dihydrochloride?
The canonical SMILES for 1-[3-[(3,5-dichlorophenyl)methoxy]-3,4-dihydro-2H-chromen-4-yl]piperazine;dihydrochloride is Cl.Cl.Clc1cc(Cl)cc(COC2COc3ccccc3C2N2CCNCC2)c1.
What is the InChIKey of 1-[3-[(3,5-dichlorophenyl)methoxy]-3,4-dihydro-2H-chromen-4-yl]piperazine;dihydrochloride?
The InChIKey is LIDALQSBXTXDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2.2ClH/c21-15-9-14(10-16(22)11-15)12-25-19-13-26-18-4-2-1-3-17(18)20(19)24-7-5-23-6-8-24;;/h1-4,9-11,19-20,23H,5-8,12-13H2;2*1H.
What are the key properties of 1-[3-[(3,5-dichlorophenyl)methoxy]-3,4-dihydro-2H-chromen-4-yl]piperazine;dihydrochloride?
1-[3-[(3,5-dichlorophenyl)methoxy]-3,4-dihydro-2H-chromen-4-yl]piperazine;dihydrochloride has a molecular weight of 466.24 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3,5-dichlorophenyl)methoxy]-3,4-dihydro-2H-chromen-4-yl]piperazine;dihydrochloride is sourced from PubChem (CID 68921068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).