2-[1-(thiophen-2-ylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol

C19H23F3N2OS — CID 45174587

IUPAC2-[1-(thiophen-2-ylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol
SMILESOCCC1CN(Cc2cccc(C(F)(F)F)c2)CCN1Cc1cccs1
InChIInChI=1S/C19H23F3N2OS/c20-19(21,22)16-4-1-3-15(11-16)12-23-7-8-24(17(13-23)6-9-25)14-18-5-2-10-26-18/h1-5,10-11,17,25H,6-9,12-14H2
InChIKeyXHSFORFUJLZROR-UHFFFAOYSA-N
MW384.47 g/mol
LogP3.84
Rot. Bonds6

About 2-[1-(thiophen-2-ylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol

2-[1-(thiophen-2-ylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol (PubChem CID 45174587) has the molecular formula C19H23F3N2OS and a molecular weight of 384.47 g/mol. Its IUPAC name is 2-[1-(thiophen-2-ylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(thiophen-2-ylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol
PubChem CID45174587
Molecular FormulaC19H23F3N2OS
Molecular Weight384.47 g/mol
Exact Mass384.15
IUPAC Name2-[1-(thiophen-2-ylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol
SMILESOCCC1CN(Cc2cccc(C(F)(F)F)c2)CCN1Cc1cccs1
InChIInChI=1S/C19H23F3N2OS/c20-19(21,22)16-4-1-3-15(11-16)12-23-7-8-24(17(13-23)6-9-25)14-18-5-2-10-26-18/h1-5,10-11,17,25H,6-9,12-14H2
InChIKeyXHSFORFUJLZROR-UHFFFAOYSA-N
XLogP3.84
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(thiophen-2-ylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-{1-(4-Methylbenzyl)-4-[(5-methyl-2-thienyl)methyl]-2-piperazinyl}ethanol
CID 16188240
2-{1-Benzyl-4-[(5-methyl-2-thienyl)methyl]piperazin-2-yl}ethanol
CID 16191077
4-(5-{[3-(2-Hydroxyethyl)-4-(2-phenylethyl)piperazin-1-yl]methyl}-2-thienyl)-2-methylbut-3-yn-2-ol
CID 16192000
2-[4-(4-Ethynylbenzyl)-1-(3-thienylmethyl)-2-piperazinyl]ethanol
CID 16189900
4-(5-{[4-Benzyl-3-(2-hydroxyethyl)-1-piperazinyl]methyl}-2-thienyl)-2-methyl-3-butyn-2-ol
CID 16191200
4-(4-{[3-(2-Hydroxyethyl)-4-(3-thienylmethyl)-1-piperazinyl]methyl}phenyl)-3-butyn-1-ol
CID 16187846
2-[1-Benzyl-4-(2-thienylmethyl)-2-piperazinyl]ethanol
CID 16192245
4-(4-{[3-(2-Hydroxyethyl)-4-(3-thienylmethyl)-1-piperazinyl]methyl}phenyl)-2-methyl-3-butyn-2-ol
CID 16192418
2-((r)-2-Methyl-4-((r)-thiophen-2-yl(3-(trifluoromethyl)phenyl)methyl)-piperazin-1-yl)acetic acid
CID 25063653
2-[4-(3,5-Difluorobenzyl)-1-(2-thienylmethyl)-2-piperazinyl]ethanol
CID 45171016
(3S,7R,8aS)-3-benzyl-2-(thiophen-3-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 92575017
3-[(3,4-Difluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol
CID 16677893

Frequently Asked Questions

What is the IUPAC name of 2-[1-(thiophen-2-ylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-(thiophen-2-ylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol (CID 45174587) is 2-[1-(thiophen-2-ylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(thiophen-2-ylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-(thiophen-2-ylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol is OCCC1CN(Cc2cccc(C(F)(F)F)c2)CCN1Cc1cccs1.
What is the InChIKey of 2-[1-(thiophen-2-ylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol?
The InChIKey is XHSFORFUJLZROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2OS/c20-19(21,22)16-4-1-3-15(11-16)12-23-7-8-24(17(13-23)6-9-25)14-18-5-2-10-26-18/h1-5,10-11,17,25H,6-9,12-14H2.
What are the key properties of 2-[1-(thiophen-2-ylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol?
2-[1-(thiophen-2-ylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol has a molecular weight of 384.47 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(thiophen-2-ylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45174587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).