4-[(2S)-piperazin-2-yl]benzene-1,3-diol;hydrochloride

C10H15ClN2O2 — CID 171193580

IUPAC4-[(2S)-piperazin-2-yl]benzene-1,3-diol;hydrochloride
SMILESCl.Oc1ccc([C@H]2CNCCN2)c(O)c1
InChIInChI=1S/C10H14N2O2.ClH/c13-7-1-2-8(10(14)5-7)9-6-11-3-4-12-9;/h1-2,5,9,11-14H,3-4,6H2;1H/t9-;/m1./s1
InChIKeyZZJXIEHGAZTARY-SBSPUUFOSA-N
MW230.69 g/mol
LogP0.75
Rot. Bonds1

About 4-[(2S)-piperazin-2-yl]benzene-1,3-diol;hydrochloride

4-[(2S)-piperazin-2-yl]benzene-1,3-diol;hydrochloride (PubChem CID 171193580) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 4-[(2S)-piperazin-2-yl]benzene-1,3-diol;hydrochloride.

Molecular Properties

Compound Name4-[(2S)-piperazin-2-yl]benzene-1,3-diol;hydrochloride
PubChem CID171193580
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name4-[(2S)-piperazin-2-yl]benzene-1,3-diol;hydrochloride
SMILESCl.Oc1ccc([C@H]2CNCCN2)c(O)c1
InChIInChI=1S/C10H14N2O2.ClH/c13-7-1-2-8(10(14)5-7)9-6-11-3-4-12-9;/h1-2,5,9,11-14H,3-4,6H2;1H/t9-;/m1./s1
InChIKeyZZJXIEHGAZTARY-SBSPUUFOSA-N
XLogP0.75
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 50.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-[(2S)-piperazin-2-yl]phenol
CID 55265321
4-[(2R)-piperidin-2-yl]benzene-1,3-diol;hydrochloride
CID 171195341
2-chloro-6-[(2R)-piperazin-2-yl]phenol;hydrochloride
CID 171194348
(2R)-2-(2,4-dimethylphenyl)piperazine;hydrochloride
CID 171194638
2-iodo-6-[(2S)-piperazin-2-yl]phenol
CID 130640964
4-[2,5-dimethyl-3-[(2R)-piperazin-2-yl]pyrrol-1-yl]phenol
CID 165353670
(2S)-2-(2,4-dimethylphenyl)piperazine
CID 55264314
2-fluoro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride
CID 171193540
2-chloro-3-fluoro-6-[(2R)-piperazin-2-yl]phenol
CID 171259662
(2R)-2-(2,4-dimethoxyphenyl)piperazine;hydrochloride
CID 171194245
(2R)-2-[2,4-bis(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 171194540
2-fluoro-4-[(2R)-piperazin-2-yl]phenol
CID 130910870

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-piperazin-2-yl]benzene-1,3-diol;hydrochloride?
The IUPAC name of 4-[(2S)-piperazin-2-yl]benzene-1,3-diol;hydrochloride (CID 171193580) is 4-[(2S)-piperazin-2-yl]benzene-1,3-diol;hydrochloride.
What is the SMILES notation for 4-[(2S)-piperazin-2-yl]benzene-1,3-diol;hydrochloride?
The canonical SMILES for 4-[(2S)-piperazin-2-yl]benzene-1,3-diol;hydrochloride is Cl.Oc1ccc([C@H]2CNCCN2)c(O)c1.
What is the InChIKey of 4-[(2S)-piperazin-2-yl]benzene-1,3-diol;hydrochloride?
The InChIKey is ZZJXIEHGAZTARY-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H14N2O2.ClH/c13-7-1-2-8(10(14)5-7)9-6-11-3-4-12-9;/h1-2,5,9,11-14H,3-4,6H2;1H/t9-;/m1./s1.
What are the key properties of 4-[(2S)-piperazin-2-yl]benzene-1,3-diol;hydrochloride?
4-[(2S)-piperazin-2-yl]benzene-1,3-diol;hydrochloride has a molecular weight of 230.69 g/mol, XLogP of 0.75, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-piperazin-2-yl]benzene-1,3-diol;hydrochloride is sourced from PubChem (CID 171193580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).