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

C12H16ClFN2O — CID 114064745

IUPAC2-(2-chloro-4-fluorophenyl)-2-piperazin-1-ylethanol
SMILESOCC(c1ccc(F)cc1Cl)N1CCNCC1
InChIInChI=1S/C12H16ClFN2O/c13-11-7-9(14)1-2-10(11)12(8-17)16-5-3-15-4-6-16/h1-2,7,12,15,17H,3-6,8H2
InChIKeyIIJXTFTVLQFACI-UHFFFAOYSA-N
MW258.72 g/mol
LogP1.42
Rot. Bonds3

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

2-(2-chloro-4-fluorophenyl)-2-piperazin-1-ylethanol (PubChem CID 114064745) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-2-piperazin-1-ylethanol
PubChem CID114064745
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name2-(2-chloro-4-fluorophenyl)-2-piperazin-1-ylethanol
SMILESOCC(c1ccc(F)cc1Cl)N1CCNCC1
InChIInChI=1S/C12H16ClFN2O/c13-11-7-9(14)1-2-10(11)12(8-17)16-5-3-15-4-6-16/h1-2,7,12,15,17H,3-6,8H2
InChIKeyIIJXTFTVLQFACI-UHFFFAOYSA-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

(4R)-4-(2-chloro-4-fluorophenyl)-4-piperazin-1-ylbutan-1-ol
CID 171173584
(2R)-2-(4-chloro-2-fluorophenyl)-2-piperazin-1-ylethanol
CID 171174264
1-[(1R)-1-(2-chloro-4-fluorophenyl)but-3-enyl]piperazine
CID 171169563
1-[(1R)-1-(2-chloro-4-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171289658
(2R)-2-(2,5-difluorophenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171174342
1-[(1S)-1-(2-chloro-4-fluorophenyl)but-3-enyl]piperazine;dihydrochloride
CID 171277022
1-[(1R)-1-(2-chloro-4-fluorophenyl)pentyl]piperazine
CID 171169591
(2R)-2-(2-chlorophenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183556
(4R)-4-(2-chloro-5-fluorophenyl)-4-piperazin-1-ylbutan-1-ol
CID 171173625
2-(4-fluorophenyl)-2-piperazin-1-ylethanol
CID 11972041
(2S)-2-piperazin-1-yl-2-(2,4,5-trifluorophenyl)ethanol
CID 171173945
1-[(1R)-1-(2-chloro-5-fluorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171176451

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-2-piperazin-1-ylethanol?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-2-piperazin-1-ylethanol (CID 114064745) is 2-(2-chloro-4-fluorophenyl)-2-piperazin-1-ylethanol.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-2-piperazin-1-ylethanol?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-2-piperazin-1-ylethanol is OCC(c1ccc(F)cc1Cl)N1CCNCC1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-2-piperazin-1-ylethanol?
The InChIKey is IIJXTFTVLQFACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c13-11-7-9(14)1-2-10(11)12(8-17)16-5-3-15-4-6-16/h1-2,7,12,15,17H,3-6,8H2.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-2-piperazin-1-ylethanol?
2-(2-chloro-4-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 2-(2-chloro-4-fluorophenyl)-2-piperazin-1-ylethanol is sourced from PubChem (CID 114064745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).