1-[3-[3-[(2,3-dichlorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine

C22H28Cl2N2O2 — CID 170863546

IUPAC1-[3-[3-[(2,3-dichlorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine
SMILESCOc1ccc(CCCN2CCN(C)CC2)cc1COc1cccc(Cl)c1Cl
InChIInChI=1S/C22H28Cl2N2O2/c1-25-11-13-26(14-12-25)10-4-5-17-8-9-20(27-2)18(15-17)16-28-21-7-3-6-19(23)22(21)24/h3,6-9,15H,4-5,10-14,16H2,1-2H3
InChIKeyDDSPJPZASSMAHL-UHFFFAOYSA-N
MW423.38 g/mol
LogP4.76
Rot. Bonds8

About 1-[3-[3-[(2,3-dichlorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine

1-[3-[3-[(2,3-dichlorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine (PubChem CID 170863546) has the molecular formula C22H28Cl2N2O2 and a molecular weight of 423.38 g/mol. Its IUPAC name is 1-[3-[3-[(2,3-dichlorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-[3-[(2,3-dichlorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine
PubChem CID170863546
Molecular FormulaC22H28Cl2N2O2
Molecular Weight423.38 g/mol
Exact Mass422.15
IUPAC Name1-[3-[3-[(2,3-dichlorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine
SMILESCOc1ccc(CCCN2CCN(C)CC2)cc1COc1cccc(Cl)c1Cl
InChIInChI=1S/C22H28Cl2N2O2/c1-25-11-13-26(14-12-25)10-4-5-17-8-9-20(27-2)18(15-17)16-28-21-7-3-6-19(23)22(21)24/h3,6-9,15H,4-5,10-14,16H2,1-2H3
InChIKeyDDSPJPZASSMAHL-UHFFFAOYSA-N
XLogP4.76
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 ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863622
1-[3-[3-[(4-iodophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863549
1-[3-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863506
1-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]azepane
CID 170863657
4-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]morpholine
CID 170863421
1-[3-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]propyl]-4-methylpiperazine
CID 170863483
1-[2-[2-(2,3-dichlorophenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 2270787
1-[3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine
CID 170863707
1-[3-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine
CID 170863606
1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862318
1-[3-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine
CID 170863695
1-[3-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863705

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[(2,3-dichlorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-[3-[(2,3-dichlorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine (CID 170863546) is 1-[3-[3-[(2,3-dichlorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-[3-[(2,3-dichlorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-[3-[(2,3-dichlorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine is COc1ccc(CCCN2CCN(C)CC2)cc1COc1cccc(Cl)c1Cl.
What is the InChIKey of 1-[3-[3-[(2,3-dichlorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine?
The InChIKey is DDSPJPZASSMAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28Cl2N2O2/c1-25-11-13-26(14-12-25)10-4-5-17-8-9-20(27-2)18(15-17)16-28-21-7-3-6-19(23)22(21)24/h3,6-9,15H,4-5,10-14,16H2,1-2H3.
What are the key properties of 1-[3-[3-[(2,3-dichlorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine?
1-[3-[3-[(2,3-dichlorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine has a molecular weight of 423.38 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[(2,3-dichlorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine is sourced from PubChem (CID 170863546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).