1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol

C20H28N2O3S — CID 4245374

IUPAC1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCCOc1ccccc1N1CCN(CC(O)COCc2cccs2)CC1
InChIInChI=1S/C20H28N2O3S/c1-2-25-20-8-4-3-7-19(20)22-11-9-21(10-12-22)14-17(23)15-24-16-18-6-5-13-26-18/h3-8,13,17,23H,2,9-12,14-16H2,1H3
InChIKeyVXJJPKRBBMPKFF-UHFFFAOYSA-N
MW376.52 g/mol
LogP2.85
Rot. Bonds9

About 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol

1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 4245374) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID4245374
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC Name1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCCOc1ccccc1N1CCN(CC(O)COCc2cccs2)CC1
InChIInChI=1S/C20H28N2O3S/c1-2-25-20-8-4-3-7-19(20)22-11-9-21(10-12-22)14-17(23)15-24-16-18-6-5-13-26-18/h3-8,13,17,23H,2,9-12,14-16H2,1H3
InChIKeyVXJJPKRBBMPKFF-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 4245374) is 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol is CCOc1ccccc1N1CCN(CC(O)COCc2cccs2)CC1.
What is the InChIKey of 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is VXJJPKRBBMPKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-2-25-20-8-4-3-7-19(20)22-11-9-21(10-12-22)14-17(23)15-24-16-18-6-5-13-26-18/h3-8,13,17,23H,2,9-12,14-16H2,1H3.
What are the key properties of 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 376.52 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 4245374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).