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

C19H23F3N2O2S — CID 4829683

IUPAC1-(thiophen-2-ylmethoxy)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
SMILESOC(COCc1cccs1)CN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H23F3N2O2S/c20-19(21,22)15-3-1-4-16(11-15)24-8-6-23(7-9-24)12-17(25)13-26-14-18-5-2-10-27-18/h1-5,10-11,17,25H,6-9,12-14H2
InChIKeyMZJADLNSIFQRAD-UHFFFAOYSA-N
MW400.47 g/mol
LogP3.47
Rot. Bonds7

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

1-(thiophen-2-ylmethoxy)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol (PubChem CID 4829683) has the molecular formula C19H23F3N2O2S and a molecular weight of 400.47 g/mol. Its IUPAC name is 1-(thiophen-2-ylmethoxy)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(thiophen-2-ylmethoxy)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
PubChem CID4829683
Molecular FormulaC19H23F3N2O2S
Molecular Weight400.47 g/mol
Exact Mass400.14
IUPAC Name1-(thiophen-2-ylmethoxy)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
SMILESOC(COCc1cccs1)CN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H23F3N2O2S/c20-19(21,22)15-3-1-4-16(11-15)24-8-6-23(7-9-24)12-17(25)13-26-14-18-5-2-10-27-18/h1-5,10-11,17,25H,6-9,12-14H2
InChIKeyMZJADLNSIFQRAD-UHFFFAOYSA-N
XLogP3.47
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(thiophen-2-ylmethoxy)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol with MolForge

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Related Compounds

1-[4-(2,3-Dimethylphenyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 4584135
1-Piperazineethanol, 4-(2-methylphenyl)-alpha-2-thienyl-, hydrochloride (1:1)
CID 3042151
[5-[4-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]butyl]thiophen-2-yl]methanol
CID 19372938
[5-[4-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]butyl]thiophen-2-yl]methyl acetate
CID 19372955
(2S)-1-(thiophen-2-ylmethoxy)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propan-2-ol
CID 2336275
(2S)-1-(thiophen-2-ylmethoxy)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 2336276
(2R)-1-(thiophen-2-ylmethoxy)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propan-2-ol
CID 2336277
(2R)-1-(thiophen-2-ylmethoxy)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 2336278
2-[4-(2-Methylphenyl)piperazin-1-yl]-1-thiophen-2-ylethanol
CID 3042152
(2R)-1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 30724372
(2S)-1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 30724376
1-[4-[Bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 45850675

Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-2-ylmethoxy)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(thiophen-2-ylmethoxy)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol (CID 4829683) is 1-(thiophen-2-ylmethoxy)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(thiophen-2-ylmethoxy)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(thiophen-2-ylmethoxy)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol is OC(COCc1cccs1)CN1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-(thiophen-2-ylmethoxy)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol?
The InChIKey is MZJADLNSIFQRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O2S/c20-19(21,22)15-3-1-4-16(11-15)24-8-6-23(7-9-24)12-17(25)13-26-14-18-5-2-10-27-18/h1-5,10-11,17,25H,6-9,12-14H2.
What are the key properties of 1-(thiophen-2-ylmethoxy)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol?
1-(thiophen-2-ylmethoxy)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol has a molecular weight of 400.47 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-2-ylmethoxy)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 4829683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).