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

C20H25F3N2OS — CID 95343607

IUPAC(2S)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol
SMILESC[C@@](O)(CN1CCN(CCc2cccs2)CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H25F3N2OS/c1-19(26,16-4-2-5-17(14-16)20(21,22)23)15-25-11-9-24(10-12-25)8-7-18-6-3-13-27-18/h2-6,13-14,26H,7-12,15H2,1H3/t19-/m1/s1
InChIKeyAZZJZOFZQUTBBZ-LJQANCHMSA-N
MW398.49 g/mol
LogP3.83
Rot. Bonds6

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

(2S)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 95343607) has the molecular formula C20H25F3N2OS and a molecular weight of 398.49 g/mol. Its IUPAC name is (2S)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID95343607
Molecular FormulaC20H25F3N2OS
Molecular Weight398.49 g/mol
Exact Mass398.16
IUPAC Name(2S)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol
SMILESC[C@@](O)(CN1CCN(CCc2cccs2)CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H25F3N2OS/c1-19(26,16-4-2-5-17(14-16)20(21,22)23)15-25-11-9-24(10-12-25)8-7-18-6-3-13-27-18/h2-6,13-14,26H,7-12,15H2,1H3/t19-/m1/s1
InChIKeyAZZJZOFZQUTBBZ-LJQANCHMSA-N
XLogP3.83
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(2R)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 95343608
4-[2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]morpholine
CID 60575640
(2R)-1-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 97087124
(2R)-1-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 98763931
2-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 61075067
N-[1-(2-thiophen-2-ylethyl)piperidin-4-ylidene]hydroxylamine
CID 63775315
3-(2-hydroxy-4-thiophen-2-ylbutan-2-yl)benzonitrile
CID 115481319
N-(2,6-diethylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 3600955
2-methyl-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)aniline
CID 66476593
1-propan-2-yloxy-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propan-2-ol
CID 3387508
N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 55438026
4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxylic acid
CID 67357875

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of (2S)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol (CID 95343607) is (2S)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for (2S)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for (2S)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol is C[C@@](O)(CN1CCN(CCc2cccs2)CC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (2S)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is AZZJZOFZQUTBBZ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25F3N2OS/c1-19(26,16-4-2-5-17(14-16)20(21,22)23)15-25-11-9-24(10-12-25)8-7-18-6-3-13-27-18/h2-6,13-14,26H,7-12,15H2,1H3/t19-/m1/s1.
What are the key properties of (2S)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol?
(2S)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 398.49 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 95343607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).