3-chloro-6-piperidin-3-ylbenzene-1,2-diol

C11H14ClNO2 — CID 117327832

IUPAC3-chloro-6-piperidin-3-ylbenzene-1,2-diol
SMILESOc1c(Cl)ccc(C2CCCNC2)c1O
InChIInChI=1S/C11H14ClNO2/c12-9-4-3-8(10(14)11(9)15)7-2-1-5-13-6-7/h3-4,7,13-15H,1-2,5-6H2
InChIKeyMMBLQPDXFFYUBF-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.22
Rot. Bonds1

About 3-chloro-6-piperidin-3-ylbenzene-1,2-diol

3-chloro-6-piperidin-3-ylbenzene-1,2-diol (PubChem CID 117327832) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 3-chloro-6-piperidin-3-ylbenzene-1,2-diol.

Molecular Properties

Compound Name3-chloro-6-piperidin-3-ylbenzene-1,2-diol
PubChem CID117327832
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name3-chloro-6-piperidin-3-ylbenzene-1,2-diol
SMILESOc1c(Cl)ccc(C2CCCNC2)c1O
InChIInChI=1S/C11H14ClNO2/c12-9-4-3-8(10(14)11(9)15)7-2-1-5-13-6-7/h3-4,7,13-15H,1-2,5-6H2
InChIKeyMMBLQPDXFFYUBF-UHFFFAOYSA-N
XLogP2.22
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.22
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

3-chloro-6-piperidin-4-ylbenzene-1,2-diol
CID 117327816
4-chloro-3-piperidin-3-ylphenol
CID 84678781
3-chloro-4-piperidin-3-ylphenol
CID 82612870
3-(2,3-dichlorophenyl)piperidine
CID 24904244
(3S)-3-(2,5-dichlorophenyl)piperidine
CID 93478490
(3S)-3-(5-bromo-2-chlorophenyl)piperidine
CID 130619016
(3R)-3-(4-bromo-2-chlorophenyl)piperidine
CID 130852856
2-chloro-6-methyl-4-piperidin-3-ylphenol
CID 84690213
3-bromo-6-pyrrolidin-3-ylbenzene-1,2-diol
CID 117398339
1-chloro-3-piperidin-3-yl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117418867
3-(4-bromo-2-chloro-3-fluorophenyl)piperidine
CID 117472474
3-chloro-4-piperidin-3-ylpyridine
CID 82399188

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-piperidin-3-ylbenzene-1,2-diol?
The IUPAC name of 3-chloro-6-piperidin-3-ylbenzene-1,2-diol (CID 117327832) is 3-chloro-6-piperidin-3-ylbenzene-1,2-diol.
What is the SMILES notation for 3-chloro-6-piperidin-3-ylbenzene-1,2-diol?
The canonical SMILES for 3-chloro-6-piperidin-3-ylbenzene-1,2-diol is Oc1c(Cl)ccc(C2CCCNC2)c1O.
What is the InChIKey of 3-chloro-6-piperidin-3-ylbenzene-1,2-diol?
The InChIKey is MMBLQPDXFFYUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c12-9-4-3-8(10(14)11(9)15)7-2-1-5-13-6-7/h3-4,7,13-15H,1-2,5-6H2.
What are the key properties of 3-chloro-6-piperidin-3-ylbenzene-1,2-diol?
3-chloro-6-piperidin-3-ylbenzene-1,2-diol has a molecular weight of 227.69 g/mol, XLogP of 2.22, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-piperidin-3-ylbenzene-1,2-diol is sourced from PubChem (CID 117327832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).