(2R)-2-(2-fluoro-5-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride

C13H20ClFN2O2 — CID 171174680

IUPAC(2R)-2-(2-fluoro-5-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
SMILESCOc1ccc(F)c([C@H](CO)N2CCNCC2)c1.Cl
InChIInChI=1S/C13H19FN2O2.ClH/c1-18-10-2-3-12(14)11(8-10)13(9-17)16-6-4-15-5-7-16;/h2-3,8,13,15,17H,4-7,9H2,1H3;1H/t13-;/m0./s1
InChIKeyWABGHKHPZGDFON-ZOWNYOTGSA-N
MW290.77 g/mol
LogP1.19
Rot. Bonds4

About (2R)-2-(2-fluoro-5-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride

(2R)-2-(2-fluoro-5-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride (PubChem CID 171174680) has the molecular formula C13H20ClFN2O2 and a molecular weight of 290.77 g/mol. Its IUPAC name is (2R)-2-(2-fluoro-5-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(2-fluoro-5-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
PubChem CID171174680
Molecular FormulaC13H20ClFN2O2
Molecular Weight290.77 g/mol
Exact Mass290.12
IUPAC Name(2R)-2-(2-fluoro-5-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
SMILESCOc1ccc(F)c([C@H](CO)N2CCNCC2)c1.Cl
InChIInChI=1S/C13H19FN2O2.ClH/c1-18-10-2-3-12(14)11(8-10)13(9-17)16-6-4-15-5-7-16;/h2-3,8,13,15,17H,4-7,9H2,1H3;1H/t13-;/m0./s1
InChIKeyWABGHKHPZGDFON-ZOWNYOTGSA-N
XLogP1.19
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-2-fluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine
CID 171182642
(2S)-2-(2-bromo-5-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183036
2-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]-5-methoxyphenol;hydrochloride
CID 171183348
1-[(1R)-1-(2-fluoro-5-methoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171308046
1-[(1R)-1-(2-fluoro-5-methoxyphenyl)pentyl]piperazine
CID 171171825
(2R)-2-(2,5-difluorophenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171174342
(2R)-2-(2-fluoro-4,5-dimethoxyphenyl)-2-piperazin-1-ylethanol
CID 171174768
1-[(1S)-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171166365
(3R)-3-(2-fluoro-5-methoxyphenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171177181
(3S)-3-(2-fluoro-5-methoxyphenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol
CID 171180566
1-[(1R)-2,2-difluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171280176
1-[(1R)-1-(2-fluoro-4-methoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171286637

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluoro-5-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride?
The IUPAC name of (2R)-2-(2-fluoro-5-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride (CID 171174680) is (2R)-2-(2-fluoro-5-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride.
What is the SMILES notation for (2R)-2-(2-fluoro-5-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride?
The canonical SMILES for (2R)-2-(2-fluoro-5-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride is COc1ccc(F)c([C@H](CO)N2CCNCC2)c1.Cl.
What is the InChIKey of (2R)-2-(2-fluoro-5-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride?
The InChIKey is WABGHKHPZGDFON-ZOWNYOTGSA-N. The full InChI is InChI=1S/C13H19FN2O2.ClH/c1-18-10-2-3-12(14)11(8-10)13(9-17)16-6-4-15-5-7-16;/h2-3,8,13,15,17H,4-7,9H2,1H3;1H/t13-;/m0./s1.
What are the key properties of (2R)-2-(2-fluoro-5-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride?
(2R)-2-(2-fluoro-5-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride has a molecular weight of 290.77 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluoro-5-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride is sourced from PubChem (CID 171174680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).