(2R)-2-(4-chloro-2-fluorophenyl)-2-piperazin-1-ylethanol

C12H16ClFN2O — CID 171174264

IUPAC(2R)-2-(4-chloro-2-fluorophenyl)-2-piperazin-1-ylethanol
SMILESOC[C@@H](c1ccc(Cl)cc1F)N1CCNCC1
InChIInChI=1S/C12H16ClFN2O/c13-9-1-2-10(11(14)7-9)12(8-17)16-5-3-15-4-6-16/h1-2,7,12,15,17H,3-6,8H2/t12-/m0/s1
InChIKeyHQVGWUGEBOSUBE-LBPRGKRZSA-N
MW258.72 g/mol
LogP1.42
Rot. Bonds3

About (2R)-2-(4-chloro-2-fluorophenyl)-2-piperazin-1-ylethanol

(2R)-2-(4-chloro-2-fluorophenyl)-2-piperazin-1-ylethanol (PubChem CID 171174264) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is (2R)-2-(4-chloro-2-fluorophenyl)-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name(2R)-2-(4-chloro-2-fluorophenyl)-2-piperazin-1-ylethanol
PubChem CID171174264
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name(2R)-2-(4-chloro-2-fluorophenyl)-2-piperazin-1-ylethanol
SMILESOC[C@@H](c1ccc(Cl)cc1F)N1CCNCC1
InChIInChI=1S/C12H16ClFN2O/c13-9-1-2-10(11(14)7-9)12(8-17)16-5-3-15-4-6-16/h1-2,7,12,15,17H,3-6,8H2/t12-/m0/s1
InChIKeyHQVGWUGEBOSUBE-LBPRGKRZSA-N
XLogP1.42
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(4-chloro-2-fluorophenyl)-4-piperazin-1-ylbutan-1-ol
CID 171174262
1-[(1R)-1-(4-chloro-2-fluorophenyl)-3-fluoropropyl]piperazine
CID 171169195
1-[(1S)-1-(4-chloro-2-fluorophenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171302569
2-(2-chloro-4-fluorophenyl)-2-piperazin-1-ylethanol
CID 114064745
(2S)-2-piperazin-1-yl-2-(2,4,5-trifluorophenyl)ethanol
CID 171173945
(2R)-2-(2,5-difluorophenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171174342
1-[(1R)-1-(4-chloro-2-fluorophenyl)ethyl]piperazine
CID 131320342
2-(2-bromo-5-chlorophenyl)-2-(1,4-diazepan-1-yl)ethanol
CID 66155694
(4S)-4-(5-chloro-2-fluorophenyl)-4-piperazin-1-ylbutan-1-ol
CID 171174266
1-[(1S)-1-(5-chloro-2-fluorophenyl)propyl]piperazine
CID 96677014
1-[(1R)-1-(5-chloro-2-fluorophenyl)propyl]piperazine
CID 96677015
1-[(1R)-1-(4-chloro-2-fluorophenyl)-2,2,2-trifluoroethyl]piperazine
CID 171179102

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-2-fluorophenyl)-2-piperazin-1-ylethanol?
The IUPAC name of (2R)-2-(4-chloro-2-fluorophenyl)-2-piperazin-1-ylethanol (CID 171174264) is (2R)-2-(4-chloro-2-fluorophenyl)-2-piperazin-1-ylethanol.
What is the SMILES notation for (2R)-2-(4-chloro-2-fluorophenyl)-2-piperazin-1-ylethanol?
The canonical SMILES for (2R)-2-(4-chloro-2-fluorophenyl)-2-piperazin-1-ylethanol is OC[C@@H](c1ccc(Cl)cc1F)N1CCNCC1.
What is the InChIKey of (2R)-2-(4-chloro-2-fluorophenyl)-2-piperazin-1-ylethanol?
The InChIKey is HQVGWUGEBOSUBE-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c13-9-1-2-10(11(14)7-9)12(8-17)16-5-3-15-4-6-16/h1-2,7,12,15,17H,3-6,8H2/t12-/m0/s1.
What are the key properties of (2R)-2-(4-chloro-2-fluorophenyl)-2-piperazin-1-ylethanol?
(2R)-2-(4-chloro-2-fluorophenyl)-2-piperazin-1-ylethanol has a molecular weight of 258.72 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-2-fluorophenyl)-2-piperazin-1-ylethanol is sourced from PubChem (CID 171174264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).