4-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylpiperazin-2-one

C15H20Cl2N2O2 — CID 56574948

IUPAC4-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylpiperazin-2-one
SMILESCC(C)C1C(=O)NCCN1CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O2/c1-10(2)14-15(20)18-5-6-19(14)7-8-21-13-4-3-11(16)9-12(13)17/h3-4,9-10,14H,5-8H2,1-2H3,(H,18,20)
InChIKeyQANGSIILHFIWOF-UHFFFAOYSA-N
MW331.24 g/mol
LogP2.83
Rot. Bonds5

About 4-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylpiperazin-2-one

4-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylpiperazin-2-one (PubChem CID 56574948) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is 4-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylpiperazin-2-one
PubChem CID56574948
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Name4-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylpiperazin-2-one
SMILESCC(C)C1C(=O)NCCN1CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O2/c1-10(2)14-15(20)18-5-6-19(14)7-8-21-13-4-3-11(16)9-12(13)17/h3-4,9-10,14H,5-8H2,1-2H3,(H,18,20)
InChIKeyQANGSIILHFIWOF-UHFFFAOYSA-N
XLogP2.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylpiperazin-2-one?
The IUPAC name of 4-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylpiperazin-2-one (CID 56574948) is 4-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 4-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylpiperazin-2-one?
The canonical SMILES for 4-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylpiperazin-2-one is CC(C)C1C(=O)NCCN1CCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylpiperazin-2-one?
The InChIKey is QANGSIILHFIWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-10(2)14-15(20)18-5-6-19(14)7-8-21-13-4-3-11(16)9-12(13)17/h3-4,9-10,14H,5-8H2,1-2H3,(H,18,20).
What are the key properties of 4-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylpiperazin-2-one?
4-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylpiperazin-2-one has a molecular weight of 331.24 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 56574948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).