(2R)-2-(3-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride

C13H20ClFN2O2 — CID 171174278

IUPAC(2R)-2-(3-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
SMILESCOc1c(F)cccc1[C@H](CO)N1CCNCC1.Cl
InChIInChI=1S/C13H19FN2O2.ClH/c1-18-13-10(3-2-4-11(13)14)12(9-17)16-7-5-15-6-8-16;/h2-4,12,15,17H,5-9H2,1H3;1H/t12-;/m0./s1
InChIKeyXHVCUIGIGINRQU-YDALLXLXSA-N
MW290.77 g/mol
LogP1.19
Rot. Bonds4

About (2R)-2-(3-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride

(2R)-2-(3-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride (PubChem CID 171174278) has the molecular formula C13H20ClFN2O2 and a molecular weight of 290.77 g/mol. Its IUPAC name is (2R)-2-(3-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(3-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
PubChem CID171174278
Molecular FormulaC13H20ClFN2O2
Molecular Weight290.77 g/mol
Exact Mass290.12
IUPAC Name(2R)-2-(3-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
SMILESCOc1c(F)cccc1[C@H](CO)N1CCNCC1.Cl
InChIInChI=1S/C13H19FN2O2.ClH/c1-18-13-10(3-2-4-11(13)14)12(9-17)16-7-5-15-6-8-16;/h2-4,12,15,17H,5-9H2,1H3;1H/t12-;/m0./s1
InChIKeyXHVCUIGIGINRQU-YDALLXLXSA-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)-1-(3-fluoro-2-methoxyphenyl)propyl]piperazine;dihydrochloride
CID 171287830
1-[(1R)-1-(3-fluoro-2-methoxyphenyl)butyl]piperazine;dihydrochloride
CID 171287847
1-[(1R)-1-(3-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310774
1-[(1S)-2-cyclopropyl-1-(3-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171163509
1-[(1R)-2-cyclopropyl-1-(3-fluoro-2-methoxyphenyl)ethyl]piperazine
CID 171168874
1-[(1R)-1-(3-fluoro-2-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304391
(2R)-2-(2-fluoro-5-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171174680
(2S)-2-naphthalen-1-yl-2-piperazin-1-ylethanol
CID 171183143
(2R)-2-(2,6-difluorophenyl)-2-piperazin-1-ylethanol
CID 171174339
(2R)-2-(2-fluoro-4,5-dimethoxyphenyl)-2-piperazin-1-ylethanol
CID 171174768
1-[(1S)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171163017
1-[(S)-(3-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171175471

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride?
The IUPAC name of (2R)-2-(3-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride (CID 171174278) is (2R)-2-(3-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride.
What is the SMILES notation for (2R)-2-(3-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride?
The canonical SMILES for (2R)-2-(3-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride is COc1c(F)cccc1[C@H](CO)N1CCNCC1.Cl.
What is the InChIKey of (2R)-2-(3-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride?
The InChIKey is XHVCUIGIGINRQU-YDALLXLXSA-N. The full InChI is InChI=1S/C13H19FN2O2.ClH/c1-18-13-10(3-2-4-11(13)14)12(9-17)16-7-5-15-6-8-16;/h2-4,12,15,17H,5-9H2,1H3;1H/t12-;/m0./s1.
What are the key properties of (2R)-2-(3-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride?
(2R)-2-(3-fluoro-2-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-(3-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride is sourced from PubChem (CID 171174278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).