(2R)-2-piperazin-1-yl-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride

C12H16ClF3N2O — CID 171174411

IUPAC(2R)-2-piperazin-1-yl-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride
SMILESCl.OC[C@@H](c1c(F)cc(F)cc1F)N1CCNCC1
InChIInChI=1S/C12H15F3N2O.ClH/c13-8-5-9(14)12(10(15)6-8)11(7-18)17-3-1-16-2-4-17;/h5-6,11,16,18H,1-4,7H2;1H/t11-;/m0./s1
InChIKeyRYYZKWUGAMKWEH-MERQFXBCSA-N
MW296.72 g/mol
LogP1.46
Rot. Bonds3

About (2R)-2-piperazin-1-yl-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride

(2R)-2-piperazin-1-yl-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride (PubChem CID 171174411) has the molecular formula C12H16ClF3N2O and a molecular weight of 296.72 g/mol. Its IUPAC name is (2R)-2-piperazin-1-yl-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-piperazin-1-yl-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride
PubChem CID171174411
Molecular FormulaC12H16ClF3N2O
Molecular Weight296.72 g/mol
Exact Mass296.09
IUPAC Name(2R)-2-piperazin-1-yl-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride
SMILESCl.OC[C@@H](c1c(F)cc(F)cc1F)N1CCNCC1
InChIInChI=1S/C12H15F3N2O.ClH/c13-8-5-9(14)12(10(15)6-8)11(7-18)17-3-1-16-2-4-17;/h5-6,11,16,18H,1-4,7H2;1H/t11-;/m0./s1
InChIKeyRYYZKWUGAMKWEH-MERQFXBCSA-N
XLogP1.46
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-bromo-2,6-difluorophenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171173708
1-[(1R)-1-(2,4,6-trifluorophenyl)propyl]piperazine;hydrochloride
CID 171169950
(2R)-2-(2,6-difluorophenyl)-2-piperazin-1-ylethanol
CID 171174339
(2S)-2-(3,5-difluorophenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171173593
1-[(1S)-1-(2,4,6-trifluorophenyl)but-3-enyl]piperazine;hydrochloride
CID 171164612
1-[(1S)-3-methyl-1-(2,4,6-trifluorophenyl)but-3-enyl]piperazine;dihydrochloride
CID 171277543
1-[(1R)-3-fluoro-1-(2,4,6-trifluorophenyl)propyl]piperazine
CID 171169905
1-[(1R)-2-cyclopropyl-1-(2,4,6-trifluorophenyl)ethyl]piperazine;hydrochloride
CID 171169982
1-[(1R)-3-methyl-1-(2,4,6-trifluorophenyl)butyl]piperazine
CID 171169989
1-[(1R)-2-cyclopropyl-1-(2,4,6-trifluorophenyl)ethyl]piperazine
CID 171169981
1-[(1R)-4-methyl-1-(2,4,6-trifluorophenyl)pentyl]piperazine
CID 171310915
(2S)-2-piperazin-1-yl-2-(2,3,6-trifluorophenyl)ethanol
CID 171173617

Frequently Asked Questions

What is the IUPAC name of (2R)-2-piperazin-1-yl-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride?
The IUPAC name of (2R)-2-piperazin-1-yl-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride (CID 171174411) is (2R)-2-piperazin-1-yl-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride.
What is the SMILES notation for (2R)-2-piperazin-1-yl-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride?
The canonical SMILES for (2R)-2-piperazin-1-yl-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride is Cl.OC[C@@H](c1c(F)cc(F)cc1F)N1CCNCC1.
What is the InChIKey of (2R)-2-piperazin-1-yl-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride?
The InChIKey is RYYZKWUGAMKWEH-MERQFXBCSA-N. The full InChI is InChI=1S/C12H15F3N2O.ClH/c13-8-5-9(14)12(10(15)6-8)11(7-18)17-3-1-16-2-4-17;/h5-6,11,16,18H,1-4,7H2;1H/t11-;/m0./s1.
What are the key properties of (2R)-2-piperazin-1-yl-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride?
(2R)-2-piperazin-1-yl-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride has a molecular weight of 296.72 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-piperazin-1-yl-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride is sourced from PubChem (CID 171174411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).