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

C20H25F3N2OS — CID 95343608

IUPAC(2R)-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-/m0/s1
InChIKeyAZZJZOFZQUTBBZ-IBGZPJMESA-N
MW398.49 g/mol
LogP3.83
Rot. Bonds6

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

(2R)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 95343608) has the molecular formula C20H25F3N2OS and a molecular weight of 398.49 g/mol. Its IUPAC name is (2R)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID95343608
Molecular FormulaC20H25F3N2OS
Molecular Weight398.49 g/mol
Exact Mass398.16
IUPAC Name(2R)-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-/m0/s1
InChIKeyAZZJZOFZQUTBBZ-IBGZPJMESA-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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of (2R)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol (CID 95343608) is (2R)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for (2R)-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 (2R)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is AZZJZOFZQUTBBZ-IBGZPJMESA-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-/m0/s1.
What are the key properties of (2R)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol?
(2R)-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 (2R)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 95343608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).