(2S)-2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol

C13H17F3N2O — CID 171173695

IUPAC(2S)-2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol
SMILESOC[C@H](c1ccccc1C(F)(F)F)N1CCNCC1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)11-4-2-1-3-10(11)12(9-19)18-7-5-17-6-8-18/h1-4,12,17,19H,5-9H2/t12-/m1/s1
InChIKeyVIXIYPXTWIUCST-GFCCVEGCSA-N
MW274.29 g/mol
LogP1.64
Rot. Bonds3

About (2S)-2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol

(2S)-2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol (PubChem CID 171173695) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is (2S)-2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name(2S)-2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol
PubChem CID171173695
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name(2S)-2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol
SMILESOC[C@H](c1ccccc1C(F)(F)F)N1CCNCC1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)11-4-2-1-3-10(11)12(9-19)18-7-5-17-6-8-18/h1-4,12,17,19H,5-9H2/t12-/m1/s1
InChIKeyVIXIYPXTWIUCST-GFCCVEGCSA-N
XLogP1.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-2-fluoro-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171181940
(4R)-4-piperazin-1-yl-4-[2-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171173694
2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol
CID 54775953
1-[(1R)-3-methyl-1-[2-(trifluoromethyl)phenyl]butyl]piperazine
CID 171170492
1-[(1S)-4-methyl-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine
CID 171310211
1-[(1S)-2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171165085
(2S)-2-[2,5-bis(trifluoromethyl)phenyl]-2-piperazin-1-ylethanol;hydrochloride
CID 171173861
1-[1-[2-(trifluoromethyl)phenyl]propyl]-1,4-diazepane
CID 3580285
1-[(1S)-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride
CID 171309199
(2R)-2-[2-chloro-6-(trifluoromethyl)phenyl]-2-piperazin-1-ylethanol
CID 171174513
1-[(1S)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine
CID 171291204
(2S)-2-naphthalen-1-yl-2-piperazin-1-ylethanol
CID 171183143

Frequently Asked Questions

What is the IUPAC name of (2S)-2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of (2S)-2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol (CID 171173695) is (2S)-2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for (2S)-2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for (2S)-2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol is OC[C@H](c1ccccc1C(F)(F)F)N1CCNCC1.
What is the InChIKey of (2S)-2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol?
The InChIKey is VIXIYPXTWIUCST-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17F3N2O/c14-13(15,16)11-4-2-1-3-10(11)12(9-19)18-7-5-17-6-8-18/h1-4,12,17,19H,5-9H2/t12-/m1/s1.
What are the key properties of (2S)-2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol?
(2S)-2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol has a molecular weight of 274.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 171173695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).