2-fluoro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride

C10H14ClFN2O — CID 171193540

IUPAC2-fluoro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride
SMILESCl.Oc1ccc([C@H]2CNCCN2)cc1F
InChIInChI=1S/C10H13FN2O.ClH/c11-8-5-7(1-2-10(8)14)9-6-12-3-4-13-9;/h1-2,5,9,12-14H,3-4,6H2;1H/t9-;/m1./s1
InChIKeyYTDYYADXAGRWJE-SBSPUUFOSA-N
MW232.69 g/mol
LogP1.19
Rot. Bonds1

About 2-fluoro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride

2-fluoro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride (PubChem CID 171193540) has the molecular formula C10H14ClFN2O and a molecular weight of 232.69 g/mol. Its IUPAC name is 2-fluoro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride.

Molecular Properties

Compound Name2-fluoro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride
PubChem CID171193540
Molecular FormulaC10H14ClFN2O
Molecular Weight232.69 g/mol
Exact Mass232.08
IUPAC Name2-fluoro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride
SMILESCl.Oc1ccc([C@H]2CNCCN2)cc1F
InChIInChI=1S/C10H13FN2O.ClH/c11-8-5-7(1-2-10(8)14)9-6-12-3-4-13-9;/h1-2,5,9,12-14H,3-4,6H2;1H/t9-;/m1./s1
InChIKeyYTDYYADXAGRWJE-SBSPUUFOSA-N
XLogP1.19
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-[(2R)-piperazin-2-yl]phenol
CID 130910870
2-bromo-4-[(2R)-piperazin-2-yl]phenol
CID 130705473
(2R)-2-(4-fluoro-3-methylphenyl)piperazine;hydrochloride
CID 171194333
2-[3-fluoro-4-(trifluoromethyl)phenyl]piperazine
CID 91666755
2-fluoro-4-[(3R)-morpholin-3-yl]phenol
CID 96758561
(2S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]piperazine
CID 171193656
2-fluoro-4-piperidin-3-ylphenol
CID 82606236
2-fluoro-4-(5-methylpiperidin-2-yl)phenol
CID 164750952
2,6-dichloro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride
CID 171193729
4-[(2S)-piperazin-2-yl]benzene-1,3-diol;hydrochloride
CID 171193580
2,6-diiodo-4-[(2R)-piperazin-2-yl]phenol;hydrochloride
CID 171194735
6-[(2R)-piperazin-2-yl]-1H-indole;hydrochloride
CID 171194380

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride?
The IUPAC name of 2-fluoro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride (CID 171193540) is 2-fluoro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride.
What is the SMILES notation for 2-fluoro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride?
The canonical SMILES for 2-fluoro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride is Cl.Oc1ccc([C@H]2CNCCN2)cc1F.
What is the InChIKey of 2-fluoro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride?
The InChIKey is YTDYYADXAGRWJE-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H13FN2O.ClH/c11-8-5-7(1-2-10(8)14)9-6-12-3-4-13-9;/h1-2,5,9,12-14H,3-4,6H2;1H/t9-;/m1./s1.
What are the key properties of 2-fluoro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride?
2-fluoro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride has a molecular weight of 232.69 g/mol, XLogP of 1.19, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride is sourced from PubChem (CID 171193540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).