4-piperidin-3-ylbenzene-1,2-diol;hydrobromide

C11H16BrNO2 — CID 3046209

IUPAC4-piperidin-3-ylbenzene-1,2-diol;hydrobromide
SMILESBr.Oc1ccc(C2CCCNC2)cc1O
InChIInChI=1S/C11H15NO2.BrH/c13-10-4-3-8(6-11(10)14)9-2-1-5-12-7-9;/h3-4,6,9,12-14H,1-2,5,7H2;1H
InChIKeyQSYQTRADRZZDKJ-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.14
Rot. Bonds1

About 4-piperidin-3-ylbenzene-1,2-diol;hydrobromide

4-piperidin-3-ylbenzene-1,2-diol;hydrobromide (PubChem CID 3046209) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 4-piperidin-3-ylbenzene-1,2-diol;hydrobromide.

Molecular Properties

Compound Name4-piperidin-3-ylbenzene-1,2-diol;hydrobromide
PubChem CID3046209
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name4-piperidin-3-ylbenzene-1,2-diol;hydrobromide
SMILESBr.Oc1ccc(C2CCCNC2)cc1O
InChIInChI=1S/C11H15NO2.BrH/c13-10-4-3-8(6-11(10)14)9-2-1-5-12-7-9;/h3-4,6,9,12-14H,1-2,5,7H2;1H
InChIKeyQSYQTRADRZZDKJ-UHFFFAOYSA-N
XLogP2.14
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-piperidin-3-ylphenol
CID 82606236
2-methyl-4-piperidin-3-ylphenol
CID 84663479
2-hydroxy-5-piperidin-3-ylbenzonitrile
CID 84776785
4-[3-(3,4-dihydroxyphenyl)cyclohexyl]benzene-1,2-diol
CID 24750759
2-iodo-4-[(3S)-pyrrolidin-3-yl]phenol
CID 130648349
2-bromo-4-pyrrolidin-3-ylphenol
CID 82622109
3-[3,4-bis(methylsulfanyl)phenyl]piperidine
CID 117386847
2-phenylmethoxy-4-piperidin-3-ylphenol
CID 117455625
4-[(2S)-pyrrolidin-2-yl]benzene-1,2-diol
CID 66518287
3-(4-tert-butylphenyl)piperidine
CID 24904200
3-naphthalen-2-ylpiperidine;hydrochloride
CID 45073830
2-bromo-4-piperidin-3-ylaniline
CID 130039466

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-3-ylbenzene-1,2-diol;hydrobromide?
The IUPAC name of 4-piperidin-3-ylbenzene-1,2-diol;hydrobromide (CID 3046209) is 4-piperidin-3-ylbenzene-1,2-diol;hydrobromide.
What is the SMILES notation for 4-piperidin-3-ylbenzene-1,2-diol;hydrobromide?
The canonical SMILES for 4-piperidin-3-ylbenzene-1,2-diol;hydrobromide is Br.Oc1ccc(C2CCCNC2)cc1O.
What is the InChIKey of 4-piperidin-3-ylbenzene-1,2-diol;hydrobromide?
The InChIKey is QSYQTRADRZZDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.BrH/c13-10-4-3-8(6-11(10)14)9-2-1-5-12-7-9;/h3-4,6,9,12-14H,1-2,5,7H2;1H.
What are the key properties of 4-piperidin-3-ylbenzene-1,2-diol;hydrobromide?
4-piperidin-3-ylbenzene-1,2-diol;hydrobromide has a molecular weight of 274.16 g/mol, XLogP of 2.14, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-3-ylbenzene-1,2-diol;hydrobromide is sourced from PubChem (CID 3046209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).