1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol;dihydrochloride

C20H27Cl3N2O3 — CID 2882772

IUPAC1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
SMILESCOc1ccccc1N1CCN(CC(O)COc2ccc(Cl)cc2)CC1.Cl.Cl
InChIInChI=1S/C20H25ClN2O3.2ClH/c1-25-20-5-3-2-4-19(20)23-12-10-22(11-13-23)14-17(24)15-26-18-8-6-16(21)7-9-18;;/h2-9,17,24H,10-15H2,1H3;2*1H
InChIKeyVOVOVZSMTPLMIY-UHFFFAOYSA-N
MW449.81 g/mol
LogP3.75
Rot. Bonds7

About 1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol;dihydrochloride

1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol;dihydrochloride (PubChem CID 2882772) has the molecular formula C20H27Cl3N2O3 and a molecular weight of 449.81 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
PubChem CID2882772
Molecular FormulaC20H27Cl3N2O3
Molecular Weight449.81 g/mol
Exact Mass448.11
IUPAC Name1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
SMILESCOc1ccccc1N1CCN(CC(O)COc2ccc(Cl)cc2)CC1.Cl.Cl
InChIInChI=1S/C20H25ClN2O3.2ClH/c1-25-20-5-3-2-4-19(20)23-12-10-22(11-13-23)14-17(24)15-26-18-8-6-16(21)7-9-18;;/h2-9,17,24H,10-15H2,1H3;2*1H
InChIKeyVOVOVZSMTPLMIY-UHFFFAOYSA-N
XLogP3.75
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.81
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol;dihydrochloride?
The IUPAC name of 1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol;dihydrochloride (CID 2882772) is 1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol;dihydrochloride.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol;dihydrochloride?
The canonical SMILES for 1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol;dihydrochloride is COc1ccccc1N1CCN(CC(O)COc2ccc(Cl)cc2)CC1.Cl.Cl.
What is the InChIKey of 1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol;dihydrochloride?
The InChIKey is VOVOVZSMTPLMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3.2ClH/c1-25-20-5-3-2-4-19(20)23-12-10-22(11-13-23)14-17(24)15-26-18-8-6-16(21)7-9-18;;/h2-9,17,24H,10-15H2,1H3;2*1H.
What are the key properties of 1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol;dihydrochloride?
1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol;dihydrochloride has a molecular weight of 449.81 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol;dihydrochloride is sourced from PubChem (CID 2882772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).