1-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-3-(4-hydroxyphenoxy)propan-1-one

C23H30N2O3 — CID 4740578

IUPAC1-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-3-(4-hydroxyphenoxy)propan-1-one
SMILESCc1ccc(C(C)N2CCN(C(=O)CCOc3ccc(O)cc3)CC2)c(C)c1
InChIInChI=1S/C23H30N2O3/c1-17-4-9-22(18(2)16-17)19(3)24-11-13-25(14-12-24)23(27)10-15-28-21-7-5-20(26)6-8-21/h4-9,16,19,26H,10-15H2,1-3H3
InChIKeyIZZSLVAEBNQDMY-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.68
Rot. Bonds6

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

1-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-3-(4-hydroxyphenoxy)propan-1-one (PubChem CID 4740578) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 1-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-3-(4-hydroxyphenoxy)propan-1-one.

Molecular Properties

Compound Name1-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-3-(4-hydroxyphenoxy)propan-1-one
PubChem CID4740578
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name1-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-3-(4-hydroxyphenoxy)propan-1-one
SMILESCc1ccc(C(C)N2CCN(C(=O)CCOc3ccc(O)cc3)CC2)c(C)c1
InChIInChI=1S/C23H30N2O3/c1-17-4-9-22(18(2)16-17)19(3)24-11-13-25(14-12-24)23(27)10-15-28-21-7-5-20(26)6-8-21/h4-9,16,19,26H,10-15H2,1-3H3
InChIKeyIZZSLVAEBNQDMY-UHFFFAOYSA-N
XLogP3.68
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-3-(4-hydroxyphenoxy)propan-1-one with MolForge

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Related Compounds

3-(4-hydroxyphenoxy)-1-[4-[1-(4-phenoxyphenyl)ethyl]piperazin-1-yl]propan-1-one
CID 4740707
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-1-one
CID 2423189
5-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-5-oxopentanehydrazide
CID 4740571
1-[4-[2-(4-hydroxyphenoxy)acetyl]piperazin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 4739992
3-(4-hydroxyphenoxy)-1-[4-(2,4,5-trimethylphenyl)piperazin-1-yl]propan-1-one
CID 4741160
3-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 60634826
3-(2-bromo-4-methylphenoxy)-1-[4-[2-(4-hydroxyphenoxy)acetyl]piperazin-1-yl]propan-1-one
CID 4740245
1-[4-[1-(2,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-3-(2-hydroxyphenoxy)propan-1-one
CID 4740668
1-[4-[2-(4-hydroxyphenoxy)propanoyl]piperazin-1-yl]-4-(4-methylphenoxy)butan-1-one
CID 108534659
3-(4-hydroxyphenoxy)-1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]propan-1-one
CID 4740376
4-[4-[(1R)-1-(2,4-dimethylphenyl)ethyl]piperazine-1-carbonyl]benzoic acid
CID 2050969
3-(4-hydroxyphenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 4741202

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-3-(4-hydroxyphenoxy)propan-1-one?
The IUPAC name of 1-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-3-(4-hydroxyphenoxy)propan-1-one (CID 4740578) is 1-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-3-(4-hydroxyphenoxy)propan-1-one.
What is the SMILES notation for 1-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-3-(4-hydroxyphenoxy)propan-1-one?
The canonical SMILES for 1-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-3-(4-hydroxyphenoxy)propan-1-one is Cc1ccc(C(C)N2CCN(C(=O)CCOc3ccc(O)cc3)CC2)c(C)c1.
What is the InChIKey of 1-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-3-(4-hydroxyphenoxy)propan-1-one?
The InChIKey is IZZSLVAEBNQDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-17-4-9-22(18(2)16-17)19(3)24-11-13-25(14-12-24)23(27)10-15-28-21-7-5-20(26)6-8-21/h4-9,16,19,26H,10-15H2,1-3H3.
What are the key properties of 1-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-3-(4-hydroxyphenoxy)propan-1-one?
1-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-3-(4-hydroxyphenoxy)propan-1-one has a molecular weight of 382.50 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-3-(4-hydroxyphenoxy)propan-1-one is sourced from PubChem (CID 4740578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).