5-chloro-4-fluoro-3-piperidin-4-ylbenzene-1,2-diol

C11H13ClFNO2 — CID 117366624

IUPAC5-chloro-4-fluoro-3-piperidin-4-ylbenzene-1,2-diol
SMILESOc1cc(Cl)c(F)c(C2CCNCC2)c1O
InChIInChI=1S/C11H13ClFNO2/c12-7-5-8(15)11(16)9(10(7)13)6-1-3-14-4-2-6/h5-6,14-16H,1-4H2
InChIKeyIDVQWNISGDZDJN-UHFFFAOYSA-N
MW245.68 g/mol
LogP2.36
Rot. Bonds1

About 5-chloro-4-fluoro-3-piperidin-4-ylbenzene-1,2-diol

5-chloro-4-fluoro-3-piperidin-4-ylbenzene-1,2-diol (PubChem CID 117366624) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is 5-chloro-4-fluoro-3-piperidin-4-ylbenzene-1,2-diol.

Molecular Properties

Compound Name5-chloro-4-fluoro-3-piperidin-4-ylbenzene-1,2-diol
PubChem CID117366624
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC Name5-chloro-4-fluoro-3-piperidin-4-ylbenzene-1,2-diol
SMILESOc1cc(Cl)c(F)c(C2CCNCC2)c1O
InChIInChI=1S/C11H13ClFNO2/c12-7-5-8(15)11(16)9(10(7)13)6-1-3-14-4-2-6/h5-6,14-16H,1-4H2
InChIKeyIDVQWNISGDZDJN-UHFFFAOYSA-N
XLogP2.36
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 52.36
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-2-fluoro-5-piperidin-4-ylphenol
CID 84793263
4-chloro-3-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol
CID 117366622
3-bromo-5-fluoro-4-piperidin-4-ylbenzene-1,2-diol
CID 117468437
3,5-difluoro-4-piperidin-4-ylphenol
CID 84782646
4-(3,5-dichloro-4-fluorophenyl)piperidine
CID 117372762
4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperidine
CID 117116603
4-chloro-3,6-difluoro-2-(piperidin-4-ylmethyl)phenol
CID 117409129
4-fluoro-3-methyl-2-piperidin-4-ylphenol
CID 84676985
3-chloro-1-piperidin-4-yl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117418849
5-chloro-4-fluoro-3-(piperazin-1-ylmethyl)benzene-1,2-diol
CID 117406163
4-(2,6-difluoro-3,5-dimethylphenyl)piperidine
CID 84790268
2-chloro-3,5-dimethyl-4-piperidin-4-ylphenol
CID 84701640

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-fluoro-3-piperidin-4-ylbenzene-1,2-diol?
The IUPAC name of 5-chloro-4-fluoro-3-piperidin-4-ylbenzene-1,2-diol (CID 117366624) is 5-chloro-4-fluoro-3-piperidin-4-ylbenzene-1,2-diol.
What is the SMILES notation for 5-chloro-4-fluoro-3-piperidin-4-ylbenzene-1,2-diol?
The canonical SMILES for 5-chloro-4-fluoro-3-piperidin-4-ylbenzene-1,2-diol is Oc1cc(Cl)c(F)c(C2CCNCC2)c1O.
What is the InChIKey of 5-chloro-4-fluoro-3-piperidin-4-ylbenzene-1,2-diol?
The InChIKey is IDVQWNISGDZDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c12-7-5-8(15)11(16)9(10(7)13)6-1-3-14-4-2-6/h5-6,14-16H,1-4H2.
What are the key properties of 5-chloro-4-fluoro-3-piperidin-4-ylbenzene-1,2-diol?
5-chloro-4-fluoro-3-piperidin-4-ylbenzene-1,2-diol has a molecular weight of 245.68 g/mol, XLogP of 2.36, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoro-3-piperidin-4-ylbenzene-1,2-diol is sourced from PubChem (CID 117366624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).