3-(4-hydroxyphenoxy)-1-[4-(2,4,5-trimethylphenyl)piperazin-1-yl]propan-1-one

C22H28N2O3 — CID 4741160

IUPAC3-(4-hydroxyphenoxy)-1-[4-(2,4,5-trimethylphenyl)piperazin-1-yl]propan-1-one
SMILESCc1cc(C)c(N2CCN(C(=O)CCOc3ccc(O)cc3)CC2)cc1C
InChIInChI=1S/C22H28N2O3/c1-16-14-18(3)21(15-17(16)2)23-9-11-24(12-10-23)22(26)8-13-27-20-6-4-19(25)5-7-20/h4-7,14-15,25H,8-13H2,1-3H3
InChIKeyUHRQLXLTRZQBBM-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.44
Rot. Bonds5

About 3-(4-hydroxyphenoxy)-1-[4-(2,4,5-trimethylphenyl)piperazin-1-yl]propan-1-one

3-(4-hydroxyphenoxy)-1-[4-(2,4,5-trimethylphenyl)piperazin-1-yl]propan-1-one (PubChem CID 4741160) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-(4-hydroxyphenoxy)-1-[4-(2,4,5-trimethylphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-hydroxyphenoxy)-1-[4-(2,4,5-trimethylphenyl)piperazin-1-yl]propan-1-one
PubChem CID4741160
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name3-(4-hydroxyphenoxy)-1-[4-(2,4,5-trimethylphenyl)piperazin-1-yl]propan-1-one
SMILESCc1cc(C)c(N2CCN(C(=O)CCOc3ccc(O)cc3)CC2)cc1C
InChIInChI=1S/C22H28N2O3/c1-16-14-18(3)21(15-17(16)2)23-9-11-24(12-10-23)22(26)8-13-27-20-6-4-19(25)5-7-20/h4-7,14-15,25H,8-13H2,1-3H3
InChIKeyUHRQLXLTRZQBBM-UHFFFAOYSA-N
XLogP3.44
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-1-one
CID 2423189
2,5-dimethyl-4-[4-(3-phenoxypropanoyl)piperazin-1-yl]benzaldehyde
CID 4742195
3-(4-hydroxyphenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 4741202
3-methyl-4-[4-[3-(4-methylphenoxy)propanoyl]piperazin-1-yl]benzaldehyde
CID 4742110
3-(3-hydroxyphenoxy)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 4741215
3-(4-hydroxyphenoxy)-1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]propan-1-one
CID 4740376
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-1-one
CID 2509747
1-[4-[2-(4-hydroxyphenoxy)acetyl]piperazin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 4739992
1-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-3-(4-hydroxyphenoxy)propan-1-one
CID 4740578
3-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 60634826
3-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 39257182
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 25130950

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenoxy)-1-[4-(2,4,5-trimethylphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-hydroxyphenoxy)-1-[4-(2,4,5-trimethylphenyl)piperazin-1-yl]propan-1-one (CID 4741160) is 3-(4-hydroxyphenoxy)-1-[4-(2,4,5-trimethylphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-hydroxyphenoxy)-1-[4-(2,4,5-trimethylphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-hydroxyphenoxy)-1-[4-(2,4,5-trimethylphenyl)piperazin-1-yl]propan-1-one is Cc1cc(C)c(N2CCN(C(=O)CCOc3ccc(O)cc3)CC2)cc1C.
What is the InChIKey of 3-(4-hydroxyphenoxy)-1-[4-(2,4,5-trimethylphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is UHRQLXLTRZQBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-16-14-18(3)21(15-17(16)2)23-9-11-24(12-10-23)22(26)8-13-27-20-6-4-19(25)5-7-20/h4-7,14-15,25H,8-13H2,1-3H3.
What are the key properties of 3-(4-hydroxyphenoxy)-1-[4-(2,4,5-trimethylphenyl)piperazin-1-yl]propan-1-one?
3-(4-hydroxyphenoxy)-1-[4-(2,4,5-trimethylphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 368.48 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenoxy)-1-[4-(2,4,5-trimethylphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 4741160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).