(2R)-2-[2-chloro-6-(trifluoromethyl)phenyl]-2-piperazin-1-ylethanol

C13H16ClF3N2O — CID 171174513

IUPAC(2R)-2-[2-chloro-6-(trifluoromethyl)phenyl]-2-piperazin-1-ylethanol
SMILESOC[C@@H](c1c(Cl)cccc1C(F)(F)F)N1CCNCC1
InChIInChI=1S/C13H16ClF3N2O/c14-10-3-1-2-9(13(15,16)17)12(10)11(8-20)19-6-4-18-5-7-19/h1-3,11,18,20H,4-8H2/t11-/m0/s1
InChIKeyZADUERPDKJGEDV-NSHDSACASA-N
MW308.73 g/mol
LogP2.30
Rot. Bonds3

About (2R)-2-[2-chloro-6-(trifluoromethyl)phenyl]-2-piperazin-1-ylethanol

(2R)-2-[2-chloro-6-(trifluoromethyl)phenyl]-2-piperazin-1-ylethanol (PubChem CID 171174513) has the molecular formula C13H16ClF3N2O and a molecular weight of 308.73 g/mol. Its IUPAC name is (2R)-2-[2-chloro-6-(trifluoromethyl)phenyl]-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name(2R)-2-[2-chloro-6-(trifluoromethyl)phenyl]-2-piperazin-1-ylethanol
PubChem CID171174513
Molecular FormulaC13H16ClF3N2O
Molecular Weight308.73 g/mol
Exact Mass308.09
IUPAC Name(2R)-2-[2-chloro-6-(trifluoromethyl)phenyl]-2-piperazin-1-ylethanol
SMILESOC[C@@H](c1c(Cl)cccc1C(F)(F)F)N1CCNCC1
InChIInChI=1S/C13H16ClF3N2O/c14-10-3-1-2-9(13(15,16)17)12(10)11(8-20)19-6-4-18-5-7-19/h1-3,11,18,20H,4-8H2/t11-/m0/s1
InChIKeyZADUERPDKJGEDV-NSHDSACASA-N
XLogP2.30
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-[2-chloro-6-(trifluoromethyl)phenyl]-3-methylbutyl]piperazine;hydrochloride
CID 171165364
(2S)-2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol
CID 171173695
(2R)-2-[3-chloro-4-(trifluoromethyl)phenyl]-2-piperazin-1-ylethanol;hydrochloride
CID 171174831
1-[(1S)-1-[2-chloro-3-(trifluoromethyl)phenyl]-2-fluoroethyl]piperazine;dihydrochloride
CID 171292669
(2R)-2-(2,6-difluorophenyl)-2-piperazin-1-ylethanol
CID 171174339
1-[(1S)-2-fluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]piperazine
CID 171181975
1-[(1S)-1-[2-chloro-3-(trifluoromethyl)phenyl]-4,4,4-trifluorobutyl]piperazine
CID 171166366
(3R)-3-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-ol
CID 171173862
1-[(1S)-1-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride
CID 171165396
1-[(1S)-1-[2-chloro-3-(trifluoromethyl)phenyl]-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171302895
1-[(1S)-1-(2-chloro-6-fluorophenyl)-3,3,3-trifluoropropyl]piperazine
CID 171163175
1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]-3-methylbutyl]piperazine
CID 171171550

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-chloro-6-(trifluoromethyl)phenyl]-2-piperazin-1-ylethanol?
The IUPAC name of (2R)-2-[2-chloro-6-(trifluoromethyl)phenyl]-2-piperazin-1-ylethanol (CID 171174513) is (2R)-2-[2-chloro-6-(trifluoromethyl)phenyl]-2-piperazin-1-ylethanol.
What is the SMILES notation for (2R)-2-[2-chloro-6-(trifluoromethyl)phenyl]-2-piperazin-1-ylethanol?
The canonical SMILES for (2R)-2-[2-chloro-6-(trifluoromethyl)phenyl]-2-piperazin-1-ylethanol is OC[C@@H](c1c(Cl)cccc1C(F)(F)F)N1CCNCC1.
What is the InChIKey of (2R)-2-[2-chloro-6-(trifluoromethyl)phenyl]-2-piperazin-1-ylethanol?
The InChIKey is ZADUERPDKJGEDV-NSHDSACASA-N. The full InChI is InChI=1S/C13H16ClF3N2O/c14-10-3-1-2-9(13(15,16)17)12(10)11(8-20)19-6-4-18-5-7-19/h1-3,11,18,20H,4-8H2/t11-/m0/s1.
What are the key properties of (2R)-2-[2-chloro-6-(trifluoromethyl)phenyl]-2-piperazin-1-ylethanol?
(2R)-2-[2-chloro-6-(trifluoromethyl)phenyl]-2-piperazin-1-ylethanol has a molecular weight of 308.73 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-chloro-6-(trifluoromethyl)phenyl]-2-piperazin-1-ylethanol is sourced from PubChem (CID 171174513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).