(2R)-2-(2,6-difluorophenyl)-2-piperazin-1-ylethanol

C12H16F2N2O — CID 171174339

IUPAC(2R)-2-(2,6-difluorophenyl)-2-piperazin-1-ylethanol
SMILESOC[C@@H](c1c(F)cccc1F)N1CCNCC1
InChIInChI=1S/C12H16F2N2O/c13-9-2-1-3-10(14)12(9)11(8-17)16-6-4-15-5-7-16/h1-3,11,15,17H,4-8H2/t11-/m0/s1
InChIKeyLGNNBRLBZMGHKK-NSHDSACASA-N
MW242.27 g/mol
LogP0.90
Rot. Bonds3

About (2R)-2-(2,6-difluorophenyl)-2-piperazin-1-ylethanol

(2R)-2-(2,6-difluorophenyl)-2-piperazin-1-ylethanol (PubChem CID 171174339) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is (2R)-2-(2,6-difluorophenyl)-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name(2R)-2-(2,6-difluorophenyl)-2-piperazin-1-ylethanol
PubChem CID171174339
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name(2R)-2-(2,6-difluorophenyl)-2-piperazin-1-ylethanol
SMILESOC[C@@H](c1c(F)cccc1F)N1CCNCC1
InChIInChI=1S/C12H16F2N2O/c13-9-2-1-3-10(14)12(9)11(8-17)16-6-4-15-5-7-16/h1-3,11,15,17H,4-8H2/t11-/m0/s1
InChIKeyLGNNBRLBZMGHKK-NSHDSACASA-N
XLogP0.90
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(2,6-difluorophenyl)-2-fluoroethyl]piperazine
CID 171181869
(2S)-2-piperazin-1-yl-2-(2,3,6-trifluorophenyl)ethanol
CID 171173617
(2R)-2-piperazin-1-yl-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride
CID 171174411
1-[(1R)-1-(2,6-difluorophenyl)-3-methylbutyl]piperazine
CID 171169542
(2S)-2-(3-bromo-2,6-difluorophenyl)-2-piperazin-1-ylethanol
CID 171173640
1-[(1R)-1-(2,6-difluorophenyl)but-3-enyl]piperazine;hydrochloride
CID 171169529
(2S)-2-(4-bromo-2,6-difluorophenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171173708
1-[(1S)-1-(2,6-difluorophenyl)pentyl]piperazine;dihydrochloride
CID 171309043
2-(4-fluorophenyl)-2-piperazin-1-ylethanol
CID 11972041
(2R)-2-(3-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171174278
(2S)-2-piperazin-1-yl-2-(2,4,5-trifluorophenyl)ethanol
CID 171173945
1-[(1S)-2-fluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]piperazine
CID 171181975

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,6-difluorophenyl)-2-piperazin-1-ylethanol?
The IUPAC name of (2R)-2-(2,6-difluorophenyl)-2-piperazin-1-ylethanol (CID 171174339) is (2R)-2-(2,6-difluorophenyl)-2-piperazin-1-ylethanol.
What is the SMILES notation for (2R)-2-(2,6-difluorophenyl)-2-piperazin-1-ylethanol?
The canonical SMILES for (2R)-2-(2,6-difluorophenyl)-2-piperazin-1-ylethanol is OC[C@@H](c1c(F)cccc1F)N1CCNCC1.
What is the InChIKey of (2R)-2-(2,6-difluorophenyl)-2-piperazin-1-ylethanol?
The InChIKey is LGNNBRLBZMGHKK-NSHDSACASA-N. The full InChI is InChI=1S/C12H16F2N2O/c13-9-2-1-3-10(14)12(9)11(8-17)16-6-4-15-5-7-16/h1-3,11,15,17H,4-8H2/t11-/m0/s1.
What are the key properties of (2R)-2-(2,6-difluorophenyl)-2-piperazin-1-ylethanol?
(2R)-2-(2,6-difluorophenyl)-2-piperazin-1-ylethanol has a molecular weight of 242.27 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,6-difluorophenyl)-2-piperazin-1-ylethanol is sourced from PubChem (CID 171174339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).