4-[(2R)-piperidin-2-yl]benzene-1,3-diol;hydrochloride

C11H16ClNO2 — CID 171195341

IUPAC4-[(2R)-piperidin-2-yl]benzene-1,3-diol;hydrochloride
SMILESCl.Oc1ccc([C@H]2CCCCN2)c(O)c1
InChIInChI=1S/C11H15NO2.ClH/c13-8-4-5-9(11(14)7-8)10-3-1-2-6-12-10;/h4-5,7,10,12-14H,1-3,6H2;1H/t10-;/m1./s1
InChIKeyZVMJAURTQUMCGY-HNCPQSOCSA-N
MW229.71 g/mol
LogP2.33
Rot. Bonds1

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

4-[(2R)-piperidin-2-yl]benzene-1,3-diol;hydrochloride (PubChem CID 171195341) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 4-[(2R)-piperidin-2-yl]benzene-1,3-diol;hydrochloride.

Molecular Properties

Compound Name4-[(2R)-piperidin-2-yl]benzene-1,3-diol;hydrochloride
PubChem CID171195341
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name4-[(2R)-piperidin-2-yl]benzene-1,3-diol;hydrochloride
SMILESCl.Oc1ccc([C@H]2CCCCN2)c(O)c1
InChIInChI=1S/C11H15NO2.ClH/c13-8-4-5-9(11(14)7-8)10-3-1-2-6-12-10;/h4-5,7,10,12-14H,1-3,6H2;1H/t10-;/m1./s1
InChIKeyZVMJAURTQUMCGY-HNCPQSOCSA-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'}

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Related Compounds

2-(azepan-2-yl)-5-fluorophenol
CID 107014696
5-methoxy-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171195842
4-[(2S)-piperazin-2-yl]benzene-1,3-diol;hydrochloride
CID 171193580
3-[(2S)-piperidin-2-yl]benzene-1,2-diol;hydrochloride
CID 171194852
3-chloro-4-[(2S)-pyrrolidin-2-yl]phenol
CID 55252487
3-chloro-4-pyrrolidin-2-ylphenol
CID 55271327
5-methyl-2-pyrrolidin-2-ylphenol
CID 55283329
3-[(2R)-piperidin-2-yl]benzene-1,2-diol
CID 130665742
3-[(2S)-piperidin-2-yl]phenol
CID 55277853
2-chloro-3-piperidin-2-ylphenol
CID 130000735
6-[(2S)-piperidin-2-yl]naphthalen-2-ol;hydrochloride
CID 171194869
5-hydroxy-2-[(2S)-pyrrolidin-2-yl]benzonitrile
CID 130632788

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-piperidin-2-yl]benzene-1,3-diol;hydrochloride?
The IUPAC name of 4-[(2R)-piperidin-2-yl]benzene-1,3-diol;hydrochloride (CID 171195341) is 4-[(2R)-piperidin-2-yl]benzene-1,3-diol;hydrochloride.
What is the SMILES notation for 4-[(2R)-piperidin-2-yl]benzene-1,3-diol;hydrochloride?
The canonical SMILES for 4-[(2R)-piperidin-2-yl]benzene-1,3-diol;hydrochloride is Cl.Oc1ccc([C@H]2CCCCN2)c(O)c1.
What is the InChIKey of 4-[(2R)-piperidin-2-yl]benzene-1,3-diol;hydrochloride?
The InChIKey is ZVMJAURTQUMCGY-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H15NO2.ClH/c13-8-4-5-9(11(14)7-8)10-3-1-2-6-12-10;/h4-5,7,10,12-14H,1-3,6H2;1H/t10-;/m1./s1.
What are the key properties of 4-[(2R)-piperidin-2-yl]benzene-1,3-diol;hydrochloride?
4-[(2R)-piperidin-2-yl]benzene-1,3-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 4-[(2R)-piperidin-2-yl]benzene-1,3-diol;hydrochloride is sourced from PubChem (CID 171195341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).