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

C11H16ClNO2 — CID 171194852

IUPAC3-[(2S)-piperidin-2-yl]benzene-1,2-diol;hydrochloride
SMILESCl.Oc1cccc([C@@H]2CCCCN2)c1O
InChIInChI=1S/C11H15NO2.ClH/c13-10-6-3-4-8(11(10)14)9-5-1-2-7-12-9;/h3-4,6,9,12-14H,1-2,5,7H2;1H/t9-;/m0./s1
InChIKeyQLOQVFWTSLWCMM-FVGYRXGTSA-N
MW229.71 g/mol
LogP2.33
Rot. Bonds1

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

3-[(2S)-piperidin-2-yl]benzene-1,2-diol;hydrochloride (PubChem CID 171194852) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 3-[(2S)-piperidin-2-yl]benzene-1,2-diol;hydrochloride.

Molecular Properties

Compound Name3-[(2S)-piperidin-2-yl]benzene-1,2-diol;hydrochloride
PubChem CID171194852
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name3-[(2S)-piperidin-2-yl]benzene-1,2-diol;hydrochloride
SMILESCl.Oc1cccc([C@@H]2CCCCN2)c1O
InChIInChI=1S/C11H15NO2.ClH/c13-10-6-3-4-8(11(10)14)9-5-1-2-7-12-9;/h3-4,6,9,12-14H,1-2,5,7H2;1H/t9-;/m0./s1
InChIKeyQLOQVFWTSLWCMM-FVGYRXGTSA-N
XLogP2.33
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-[(2R)-piperidin-2-yl]benzene-1,2-diol
CID 130665742
2-hydroxy-3-[(2S)-piperidin-2-yl]benzonitrile
CID 131554616
2-chloro-3-piperidin-2-ylphenol
CID 130000735
2-bromo-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66519675
2-(hydroxymethyl)-6-[(2S)-pyrrolidin-2-yl]phenol
CID 55263489
2-[(2R)-piperidin-2-yl]benzene-1,3-diol
CID 130679710
2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518543
4-[(2R)-piperidin-2-yl]benzene-1,3-diol;hydrochloride
CID 171195341
4-[(2R)-piperidin-2-yl]naphthalen-1-ol
CID 171195556
2-propan-2-yl-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518911
4-bromo-2-piperidin-2-ylphenol
CID 82623427
2-(2-cyclopentylphenyl)piperidine
CID 115005914

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-piperidin-2-yl]benzene-1,2-diol;hydrochloride?
The IUPAC name of 3-[(2S)-piperidin-2-yl]benzene-1,2-diol;hydrochloride (CID 171194852) is 3-[(2S)-piperidin-2-yl]benzene-1,2-diol;hydrochloride.
What is the SMILES notation for 3-[(2S)-piperidin-2-yl]benzene-1,2-diol;hydrochloride?
The canonical SMILES for 3-[(2S)-piperidin-2-yl]benzene-1,2-diol;hydrochloride is Cl.Oc1cccc([C@@H]2CCCCN2)c1O.
What is the InChIKey of 3-[(2S)-piperidin-2-yl]benzene-1,2-diol;hydrochloride?
The InChIKey is QLOQVFWTSLWCMM-FVGYRXGTSA-N. The full InChI is InChI=1S/C11H15NO2.ClH/c13-10-6-3-4-8(11(10)14)9-5-1-2-7-12-9;/h3-4,6,9,12-14H,1-2,5,7H2;1H/t9-;/m0./s1.
What are the key properties of 3-[(2S)-piperidin-2-yl]benzene-1,2-diol;hydrochloride?
3-[(2S)-piperidin-2-yl]benzene-1,2-diol;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 2.33, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-piperidin-2-yl]benzene-1,2-diol;hydrochloride is sourced from PubChem (CID 171194852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).