1-(4-methoxyphenoxy)-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propan-2-ol

C20H28N2O3S — CID 3857079

IUPAC1-(4-methoxyphenoxy)-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propan-2-ol
SMILESCOc1ccc(OCC(O)CN2CCN(CCc3cccs3)CC2)cc1
InChIInChI=1S/C20H28N2O3S/c1-24-18-4-6-19(7-5-18)25-16-17(23)15-22-12-10-21(11-13-22)9-8-20-3-2-14-26-20/h2-7,14,17,23H,8-13,15-16H2,1H3
InChIKeyLZWZUOALECNKRE-UHFFFAOYSA-N
MW376.52 g/mol
LogP2.36
Rot. Bonds9

About 1-(4-methoxyphenoxy)-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propan-2-ol

1-(4-methoxyphenoxy)-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propan-2-ol (PubChem CID 3857079) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is 1-(4-methoxyphenoxy)-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(4-methoxyphenoxy)-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propan-2-ol
PubChem CID3857079
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC Name1-(4-methoxyphenoxy)-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propan-2-ol
SMILESCOc1ccc(OCC(O)CN2CCN(CCc3cccs3)CC2)cc1
InChIInChI=1S/C20H28N2O3S/c1-24-18-4-6-19(7-5-18)25-16-17(23)15-22-12-10-21(11-13-22)9-8-20-3-2-14-26-20/h2-7,14,17,23H,8-13,15-16H2,1H3
InChIKeyLZWZUOALECNKRE-UHFFFAOYSA-N
XLogP2.36
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-methoxyphenoxy)-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propan-2-ol with MolForge

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Related Compounds

1-propan-2-yloxy-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propan-2-ol
CID 3387508
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 7081025
1-(4-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 4041027
1-(4-benzylpiperazin-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;dihydrochloride
CID 2867463
(2R)-1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol
CID 30734616
(2R)-1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 8741482
(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 8669631
1-(4-methoxyphenoxy)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3388778
1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-3-(4-methoxyphenoxy)propan-2-ol
CID 55466655
1-[4-[2-hydroxy-3-[4-(2-phenoxyethyl)piperazin-1-yl]propoxy]phenoxy]-3-[4-(2-phenoxyethyl)piperazin-1-yl]propan-2-ol
CID 4234342
1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 18593236
1-(4-methylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol
CID 2769804

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenoxy)-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(4-methoxyphenoxy)-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propan-2-ol (CID 3857079) is 1-(4-methoxyphenoxy)-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(4-methoxyphenoxy)-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(4-methoxyphenoxy)-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propan-2-ol is COc1ccc(OCC(O)CN2CCN(CCc3cccs3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenoxy)-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propan-2-ol?
The InChIKey is LZWZUOALECNKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-24-18-4-6-19(7-5-18)25-16-17(23)15-22-12-10-21(11-13-22)9-8-20-3-2-14-26-20/h2-7,14,17,23H,8-13,15-16H2,1H3.
What are the key properties of 1-(4-methoxyphenoxy)-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propan-2-ol?
1-(4-methoxyphenoxy)-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propan-2-ol has a molecular weight of 376.52 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenoxy)-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 3857079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).