1-[3-[2-(4-chlorophenoxy)-6-fluorophenyl]propyl]-4-methylpiperazine

C20H24ClFN2O — CID 170862989

IUPAC1-[3-[2-(4-chlorophenoxy)-6-fluorophenyl]propyl]-4-methylpiperazine
SMILESCN1CCN(CCCc2c(F)cccc2Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H24ClFN2O/c1-23-12-14-24(15-13-23)11-3-4-18-19(22)5-2-6-20(18)25-17-9-7-16(21)8-10-17/h2,5-10H,3-4,11-15H2,1H3
InChIKeyLUYSARITKLHHHR-UHFFFAOYSA-N
MW362.88 g/mol
LogP4.45
Rot. Bonds6

About 1-[3-[2-(4-chlorophenoxy)-6-fluorophenyl]propyl]-4-methylpiperazine

1-[3-[2-(4-chlorophenoxy)-6-fluorophenyl]propyl]-4-methylpiperazine (PubChem CID 170862989) has the molecular formula C20H24ClFN2O and a molecular weight of 362.88 g/mol. Its IUPAC name is 1-[3-[2-(4-chlorophenoxy)-6-fluorophenyl]propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-[2-(4-chlorophenoxy)-6-fluorophenyl]propyl]-4-methylpiperazine
PubChem CID170862989
Molecular FormulaC20H24ClFN2O
Molecular Weight362.88 g/mol
Exact Mass362.16
IUPAC Name1-[3-[2-(4-chlorophenoxy)-6-fluorophenyl]propyl]-4-methylpiperazine
SMILESCN1CCN(CCCc2c(F)cccc2Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H24ClFN2O/c1-23-12-14-24(15-13-23)11-3-4-18-19(22)5-2-6-20(18)25-17-9-7-16(21)8-10-17/h2,5-10H,3-4,11-15H2,1H3
InChIKeyLUYSARITKLHHHR-UHFFFAOYSA-N
XLogP4.45
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(4-chlorophenoxy)-6-fluorophenyl]propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-[2-(4-chlorophenoxy)-6-fluorophenyl]propyl]-4-methylpiperazine (CID 170862989) is 1-[3-[2-(4-chlorophenoxy)-6-fluorophenyl]propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-[2-(4-chlorophenoxy)-6-fluorophenyl]propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-[2-(4-chlorophenoxy)-6-fluorophenyl]propyl]-4-methylpiperazine is CN1CCN(CCCc2c(F)cccc2Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[3-[2-(4-chlorophenoxy)-6-fluorophenyl]propyl]-4-methylpiperazine?
The InChIKey is LUYSARITKLHHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN2O/c1-23-12-14-24(15-13-23)11-3-4-18-19(22)5-2-6-20(18)25-17-9-7-16(21)8-10-17/h2,5-10H,3-4,11-15H2,1H3.
What are the key properties of 1-[3-[2-(4-chlorophenoxy)-6-fluorophenyl]propyl]-4-methylpiperazine?
1-[3-[2-(4-chlorophenoxy)-6-fluorophenyl]propyl]-4-methylpiperazine has a molecular weight of 362.88 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(4-chlorophenoxy)-6-fluorophenyl]propyl]-4-methylpiperazine is sourced from PubChem (CID 170862989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).